From 7c53881146ff063591d0da93c5582480ca056715 Mon Sep 17 00:00:00 2001 From: kMutagene Date: Thu, 20 Feb 2020 08:25:28 +0100 Subject: [PATCH 01/13] Fix logo paths in some paket.template files --- src/BioFSharp.Parallel/paket.template | 4 ++-- src/BioFSharp.Stats/paket.template | 4 ++-- src/BioFSharp.Vis/paket.template | 4 ++-- 3 files changed, 6 insertions(+), 6 deletions(-) diff --git a/src/BioFSharp.Parallel/paket.template b/src/BioFSharp.Parallel/paket.template index 31f79c89..258f9fea 100644 --- a/src/BioFSharp.Parallel/paket.template +++ b/src/BioFSharp.Parallel/paket.template @@ -9,9 +9,9 @@ authors projectUrl https://github.com/CSBiology/BioFSharp iconUrl - https://raw.githubusercontent.com/CSBiology/BioFSharp/master/docs/files/img/logo.png + https://raw.githubusercontent.com/CSBiology/BioFSharp/master/docsrc/files/img/logo.png licenseUrl - https://github.com/CSBiology/BioFSharp/blob/master/LICENSE.txt + https://github.com/CSBiology/BioFSharp/blob/master/LICENSE requireLicenseAcceptance false language diff --git a/src/BioFSharp.Stats/paket.template b/src/BioFSharp.Stats/paket.template index 95e85615..e69de5c2 100644 --- a/src/BioFSharp.Stats/paket.template +++ b/src/BioFSharp.Stats/paket.template @@ -9,9 +9,9 @@ authors projectUrl https://github.com/CSBiology/BioFSharp iconUrl - https://raw.githubusercontent.com/CSBiology/BioFSharp/master/docs/files/img/logo.png + https://raw.githubusercontent.com/CSBiology/BioFSharp/master/docsrc/files/img/logo.png licenseUrl - https://github.com/CSBiology/BioFSharp/blob/master/LICENSE.txt + https://github.com/CSBiology/BioFSharp/blob/master/LICENSE requireLicenseAcceptance false language diff --git a/src/BioFSharp.Vis/paket.template b/src/BioFSharp.Vis/paket.template index b9f4b3fe..2eb23bf6 100644 --- a/src/BioFSharp.Vis/paket.template +++ b/src/BioFSharp.Vis/paket.template @@ -9,9 +9,9 @@ authors projectUrl https://github.com/CSBiology/BioFSharp iconUrl - https://raw.githubusercontent.com/CSBiology/BioFSharp/master/docs/files/img/logo.png + https://raw.githubusercontent.com/CSBiology/BioFSharp/master/docsrc/files/img/logo.png licenseUrl - https://github.com/CSBiology/BioFSharp/blob/master/LICENSE.txt + https://github.com/CSBiology/BioFSharp/blob/master/LICENSE requireLicenseAcceptance false language From 1c9afe202583e90c7fe15e006444c458eff3eea6 Mon Sep 17 00:00:00 2001 From: kMutagene Date: Thu, 20 Feb 2020 08:27:40 +0100 Subject: [PATCH 02/13] Fix buid status table in readme --- README.md | 2 +- docsrc/content/release-notes.md | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 0ec5fd85..ac1bbbbf 100644 --- a/README.md +++ b/README.md @@ -12,7 +12,7 @@ BioFSharp is an open source bioinformatics and computational biology toolbox wri |Branch|Linux Mono (Xenial)|Linux .Net Core only (Bionic Beaver)|Windows| -|---|---|---| +|---|---|---|---| | master | [![Build Status](https://travis-ci.com/CSBiology/BioFSharp.svg?branch=master)](https://travis-ci.com/CSBiology/BioFSharp) | [![Build status](https://ci.appveyor.com/api/projects/status/9a5r4aklmmbykobk/branch/master?svg=true)](https://ci.appveyor.com/project/kMutagene/biofsharp/branch/master) | [![Build status](https://ci.appveyor.com/api/projects/status/9a5r4aklmmbykobk/branch/master?svg=true)](https://ci.appveyor.com/project/kMutagene/biofsharp/branch/master) | | developer | [![Build Status](https://travis-ci.com/CSBiology/BioFSharp.svg?branch=developer)](https://travis-ci.com/CSBiology/BioFSharp) | [![Build status](https://ci.appveyor.com/api/projects/status/9a5r4aklmmbykobk/branch/developer?svg=true)](https://ci.appveyor.com/project/kMutagene/biofsharp/branch/developer) |[![Build status](https://ci.appveyor.com/api/projects/status/9a5r4aklmmbykobk/branch/developer?svg=true)](https://ci.appveyor.com/project/kMutagene/biofsharp/branch/developer) | diff --git a/docsrc/content/release-notes.md b/docsrc/content/release-notes.md index e364d81d..ba9cd24d 100644 --- a/docsrc/content/release-notes.md +++ b/docsrc/content/release-notes.md @@ -1,4 +1,4 @@ -#### 1.0.02 - Thursday, October 24, 2019 +#### 1.0.02 - Wednesday, February 19, 2020 * **BioFSharp.BioDB:** * Fix FaTool OData model URL * **BioFSharp.Vis** From cebb7ec8cacf7ffca5dfc1b1f46a028b8dc7e688 Mon Sep 17 00:00:00 2001 From: kMutagene Date: Thu, 20 Feb 2020 09:30:05 +0100 Subject: [PATCH 03/13] [Docs] update installation instructions --- docsrc/content/index.fsx | 42 +++++++++++++++++++++++++++------------- 1 file changed, 29 insertions(+), 13 deletions(-) diff --git a/docsrc/content/index.fsx b/docsrc/content/index.fsx index b4fa980b..2982c6eb 100644 --- a/docsrc/content/index.fsx +++ b/docsrc/content/index.fsx @@ -43,10 +43,21 @@ The core datamodel implements in ascending hierarchical order: Installation ------------ -BioFSharp is currently on the way to its 1.x release. When this process is done, we will provide a nuget package at [nuget.org](https://www.nuget.org/). However, currently the way to get BioFSharp running on -your machine is to either clone the repository and build the binaries yourself or download the prerelease packages from our [nuget branch](https://github.com/CSBiology/BioFSharp/tree/nuget). +**From Nuget.org:** -**Using prerelease packages from the nuget branch:** +You can get the stable versions of all BioFSharp packages from nuget: + +
+PM> Install-Package BioFSharp
+> paket add BioFSharp
+
+ +All associated packages can be found [here](https://www.nuget.org/profiles/CSBiology) + + +**Prerelease packages from the nuget branch:** + +Unstable/Experimental packages only. If you are using paket, add the following line to you `paket.dependencies` file: @@ -69,24 +80,29 @@ you can then access the individual packages: `nuget BioFSharp.Vis` - -**To build the binaries yourself:** +**Build the binaries yourself:** **Windows**: -- Install [.Net Core SDK](https://www.microsoft.com/net/download) -- Install the dotnet tool fake cli by `dotnet tool install fake-cli -g` for global installation or `dotnet tool install fake-cli --tool-path yourtoolpath` -- Install the dotnet tool paket by `dotnet tool install paket -g` for global installation or `dotnet tool install paket --tool-path yourtoolpath` +- Install [.Net Core SDK](https://www.microsoft.com/net/download) 3.0 + - go to the project folder -- use the console command `fake build` +- `.\build.cmd` + +**Linux(using Mono)**: + +- BioDB is excluded from this build. + +- Install [.Net Core SDK](https://www.microsoft.com/net/download/linux-package-manager/ubuntu14-04/sdk-current) +- go to the project folder +- ./build.sh -t Mono + +**Linux(Dotnet Core only)**: -**Linux(Ubuntu, using Mono)**: +- this does only build projects targeting netstandard2.0 (Core, BioContainers, IO, Stats, ML) - Install [.Net Core SDK](https://www.microsoft.com/net/download/linux-package-manager/ubuntu14-04/sdk-current) -- Install the dotnet tool fake cli by `dotnet tool install fake-cli -g` for global installation or `dotnet tool install fake-cli --tool-path yourtoolpath` -- Install the dotnet tool paket by `dotnet tool install paket -g` for global installation or `dotnet tool install paket --tool-path yourtoolpath` - go to the project folder -- use the console command `dotnet fake build --target Linux` +- ./build.sh -t Dotnet
From 2b32dc9866318bd5e9441aa15b13b4758461ea1d Mon Sep 17 00:00:00 2001 From: kMutagene Date: Thu, 20 Feb 2020 11:20:07 +0100 Subject: [PATCH 04/13] Add BioContainers design guide --- BioFSharp.sln | 1 + docsrc/content/BioContainersDesignGuide.fsx | 300 ++++++++++++++++++++ docsrc/content/index.fsx | 4 +- docsrc/files/img/MakeBlastDBParams.png | Bin 0 -> 267466 bytes docsrc/tools/templates/template.cshtml | 3 +- 5 files changed, 304 insertions(+), 4 deletions(-) create mode 100644 docsrc/content/BioContainersDesignGuide.fsx create mode 100644 docsrc/files/img/MakeBlastDBParams.png diff --git a/BioFSharp.sln b/BioFSharp.sln index be71ff14..75f0ce20 100644 --- a/BioFSharp.sln +++ b/BioFSharp.sln @@ -30,6 +30,7 @@ Project("{2150E333-8FDC-42A3-9474-1A3956D46DE8}") = "content", "content", "{8E6D docsrc\content\AminoProperties.fsx = docsrc\content\AminoProperties.fsx docsrc\content\BioCollections.fsx = docsrc\content\BioCollections.fsx docsrc\content\BioContainers.fsx = docsrc\content\BioContainers.fsx + docsrc\content\BioContainersDesignGuide.fsx = docsrc\content\BioContainersDesignGuide.fsx docsrc\content\BioDB.fsx = docsrc\content\BioDB.fsx docsrc\content\BioID.fsx = docsrc\content\BioID.fsx docsrc\content\BioItem.fsx = docsrc\content\BioItem.fsx diff --git a/docsrc/content/BioContainersDesignGuide.fsx b/docsrc/content/BioContainersDesignGuide.fsx new file mode 100644 index 00000000..50667d3f --- /dev/null +++ b/docsrc/content/BioContainersDesignGuide.fsx @@ -0,0 +1,300 @@ +(*** hide ***) +#I @"../../bin/BioFSharp/net47/" +#I @"../../bin/BioFSharp.BioDB/net45/" +#I @"../../bin/BioFSharp.ImgP/net47" +#I @"../../bin/BioFSharp.IO/net47/" +#I @"../../bin/BioFSharp.Parallel/net47/" +#I @"../../bin/BioFSharp.Stats/net47/" +#I @"../../bin/BioFSharp.Vis/net47/" +#r @"../../lib/Formatting/FSharp.Plotly.dll" +#I @"../../bin/BioFSharp.BioContainers/net47/" +#r @"C:\Users\kevin\source\repos\CSBiology\BioFSharp\packages\Docker.DotNet\lib\netstandard2.0\Docker.DotNet.dll" +#r "BioFSharp.dll" +#r "BioFSharp.BioContainers.dll" + +open BioFSharp.BioContainers +open BioFSharp.BioContainers.BioContainer +(** + +Designing F# APIs for biocontainers +=================================== + +This page is a design suggestion for common coding practice for all biocontainer APIs used in this library. +Do not take it as ultima ratio, but as a guideline that is up for community discussion. + +Biocontainer targets +-------------------- + +If you want to create an F# API for a bioinformatic tool, make sure to check if the tool is already containerized +in the [BioConstainers registry](https://biocontainers.pro/#/registry) or [repository](https://github.com/BioContainers/containers). If not, make sure to create your own image according to the [BioConstainers standards](https://biocontainers-edu.biocontainers.pro/en/latest/what_is_biocontainers.html). + +Suggested BioContainer API design workflow +------------------------------------------ + +- **Pull or build the target container.** +- **Run the help command in the container** +That way you can check that the container is working and you get the full list of commands with additional information. +You can alternatively get the description of commands from the documentation of the containerized tool. +- **Create a DSL for the command line arguments as follows:** +- **Create functions to run commands in the container** + +Here is an example walkthrough for the `makeblastdb` tool. The documentation used to create the DSL can be found [here](https://www.ncbi.nlm.nih.gov/books/NBK279684/) + +The relevant arguments are: + +![MakeBlastDBParams](img/MakeBlastDBParams.png) + +###Use Discriminated Union types for all types in the domain. +The top level type should be named "[toolname]Params" +For arguments with various input ranges, choose a fitting type at will, e.g. `String` for a title, `int` for number of cores, etc. or use the type annotations from the tool's docs when provided +*) + +///DSL for command line arguments for the NCBI makeblastdb tool +type MakeBlastDbParams = +///Input file/database name +| Input of string + +(** +###For flag type arguments, use typeless union labels** +*) + +type MakeBlastDbParams = + ///Input file/database name + | Input of string + ///Parse bar delimited sequence identifiers (e.g., gi|129295) in FASTA input + | ParseSeqIds + +(** +###For arguments than can only have a defined set of values, use a dedicated discriminated union type** +*) + +///Input file type for makeblastdb +type MakeBlastDBInputType = + ///fasta: for FASTA file(s) + |Fasta + ///blastdb: for BLAST database(s) + |Blastdb + ///asn1_txt: for Seq-entries in text ASN.1 format + |Asn1Txt + ///asn1_bin: for Seq-entries in binary ASN.1 format + |ASN1Bin + +type MakeBlastDbParams = + ///Input file/database name + | Input of string + ///Input file type for makeblastdb + | InputType of MakeBlastDBInputType + ///Parse bar delimited sequence identifiers (e.g., gi|129295) in FASTA input + | ParseSeqIds + + +(** +###For each discriminated union type you have, create converter functions: + +Sub union types: + +- make: a function that returns the argument converted from DSL to string. This function can be used for creating commands usable in any local shell. +- make: a function that returns the argument converted from DSL to string, using the `MountInfo.containerPathOf` function. + This function creates commands that are usable in a container with mounted directories and ensures access for the tool to your mounted input/output files. You only need this function for types that contain paths. + +Top level union type: + +- makeCmd: a function that returns the argument converted from DSL to string, preceded with the option indicator (e.g. --, -). This function can be used for creating commands usable in any local shell. +- makeCmdWith: a function that returns the argument converted from DSL to string, preceded with the option indicator (e.g. --, -), using the `MountInfo.containerPathOf` function. + This function creates commands that are usable in a container with mounted directories and ensures access for the tool to your mounted input/output files. You only need this function for types that contain paths. + +When containing subunions, the converter for the top level union should call the converter for the subunion for argument string creation. +All return values of the top level union should be wrapped in a list. +*) + +///Input file type for makeblastdb +type MakeBlastDBInputType = + ///fasta: for FASTA file(s) + |Fasta + ///blastdb: for BLAST database(s) + |Blastdb + ///asn1_txt: for Seq-entries in text ASN.1 format + |Asn1Txt + ///asn1_bin: for Seq-entries in binary ASN.1 format + |ASN1Bin + static member make = function + |Fasta -> "fasta" + |Blastdb -> "blastdb" + |Asn1Txt -> "asn1_txt" + |ASN1Bin -> "asn1_bin" + +type MakeBlastDbParams = + ///Input file/database name + | Input of string + ///Input file type for makeblastdb + | InputType of MakeBlastDBInputType + ///Parse bar delimited sequence identifiers (e.g., gi|129295) in FASTA input + | ParseSeqIds + + static member makeCmd = function + | Input (path) -> ["-in" ; path] + | InputType it -> ["-input_type" ; MakeBlastDBInputType.make it] + | ParseSeqIds -> ["-parse_seqids"] + + ///returns the string form of command line argument DSL for makeblastdb with paths adjusted for container localization + static member makeCmdWith (m: MountInfo) = function + | Input (path) -> ["-in" ; MountInfo.containerPathOf m path] + | InputType it -> ["-input_type" ; MakeBlastDBInputType.make it] + | ParseSeqIds -> ["-parse_seqids"] + + +(** +###Create functions for in-container command execution +Always create a synchronous and asynchronous version: +*) + +open BioFSharp.BioContainers +open BioFSharp.BioContainers.BioContainer + +let runMakeBlastDBAsync (bcContext:BioContainer.BcContext) (opt:MakeBlastDbParams list) = + + //create correct command line strings from the input parameters + let cmds = (opt |> List.map (MakeBlastDbParams.makeCmdWith bcContext.Mount)) + + //append the commands after the running command, most time this is the tool name. + let tp = "makeblastdb"::(cmds |> List.concat) + + printfn "Starting process makeblastdb\r\nparameters:" + cmds |> List.iter (fun op -> printfn "\t%s" (String.concat " " op)) + + //await execution of the commands in the container. execAsync does not return the result, use execReturn for that. + async { + let! res = BioContainer.execAsync bcContext tp + return res + } + +//synchronous version +let runMakeBlastDB (bcContext:BioContainer.BcContext) (opt:MakeBlastDbParams list) = + + runMakeBlastDBAsync bcContext opt + |> Async.RunSynchronously + + +(** +Full example +------------ +Here is the full DSL for makeblastdb: +*) + + +open BioFSharp.BioContainers +open BioFSharp.BioContainers.BioContainer + +///Input file type for makeblastdb +type MakeBlastDBInputType = + ///fasta: for FASTA file(s) + |Fasta + ///blastdb: for BLAST database(s) + |Blastdb + ///asn1_txt: for Seq-entries in text ASN.1 format + |Asn1Txt + ///asn1_bin: for Seq-entries in binary ASN.1 format + |ASN1Bin + + static member make = function + |Fasta -> "fasta" + |Blastdb -> "blastdb" + |Asn1Txt -> "asn1_txt" + |ASN1Bin -> "asn1_bin" + +///Molecule type of input, values can be nucl or prot +type DbType = + | Protein + | Nucleotide + + static member make = function + | Protein -> "prot" + | Nucleotide -> "nucl" + +///DSL for command line arguments for the NCBI makeblastdb tool +type MakeBlastDbParams = + ///Input file/database name + | Input of string + ///Input file type for makeblastdb + | InputType of MakeBlastDBInputType + ///Molecule type of input, values can be nucl or prot + | DbType of DbType + ///Title for BLAST database. If not set, the input file name will be used + | Title of string + ///Parse bar delimited sequence identifiers (e.g., gi|129295) in FASTA input + | ParseSeqIds + ///Create index of sequence hash values + | HashIndex + ///Comma-separated list of input files containing masking data as produced by NCBI masking applications (e.g. dustmasker, segmasker, windowmasker + | MaskData of string list + ///Name of BLAST database to be created. Input file name is used if none provided. This field is required if input consists of multiple files + | Output of string + ///Maximum file size to use for BLAST database. 4GB is the maximum supported by the database structure + | MaxFileSize of string + ///Taxonomy ID to assign to all sequences. + | TaxId of int + ///File with two columns mapping sequence ID to the taxonomy ID. The first column is the sequence ID represented as one of: + /// + ///1 + ///fasta with accessions (e.g., emb|X17276.1|) + /// + ///2 + ///fasta with GI (e.g., gi|4) + /// + ///3 + ///GI as a bare number (e.g., 4) + /// + ///4 + ///A local ID. The local ID must be prefixed with "lcl" (e.g., lcl|4). + ///The second column should be the NCBI taxonomy ID (e.g., 9606 for human). + | TaxIdMapFile of string + ///Program log file (default is stderr). + | Logfile of string + + ///returns the string form of command line argument DSL for makeblastdb + static member makeCmd = function + | Input (path) -> ["-in" ; path] + | InputType it -> ["-input_type" ; MakeBlastDBInputType.make it] + | DbType (dbt) -> ["-dbtype" ; DbType.make dbt] + | Title t -> ["-title" ; t] + | ParseSeqIds -> ["-parse_seqids"] + | HashIndex -> ["-hash_index"] + | MaskData (paths) -> ["-mask_data" ; paths |> String.concat ","] + | Output (path) -> ["-out" ; path] + | MaxFileSize fs -> ["-max_file_size"; fs] + | TaxId tid -> ["-taxid" ; sprintf "%i" tid] + | TaxIdMapFile (path) -> ["-taxid_map" ; path] + | Logfile(path) -> ["-logfile" ; path] + + ///returns the string form of command line argument DSL for makeblastdb with paths adjusted for container localization + static member makeCmdWith (m: MountInfo) = function + | Input (path) -> ["-in" ; MountInfo.containerPathOf m path] + | InputType it -> ["-input_type" ; MakeBlastDBInputType.make it] + | DbType (dbt) -> ["-dbtype" ; DbType.make dbt] + | Title t -> ["-title" ; t] + | ParseSeqIds -> ["-parse_seqids"] + | HashIndex -> ["-hash_index"] + | MaskData (paths) -> ["-mask_data" ; paths |> List.map (MountInfo.containerPathOf m) |> String.concat ","] + | Output (path) -> ["-out" ; MountInfo.containerPathOf m path] + | MaxFileSize fs -> ["-max_file_size"; fs] + | TaxId tid -> ["-taxid" ; sprintf "%i" tid] + | TaxIdMapFile (path) -> ["-taxid_map" ; MountInfo.containerPathOf m path] + | Logfile(path) -> ["-logfile" ; MountInfo.containerPathOf m path] + +let runMakeBlastDBAsync (bcContext:BioContainer.BcContext) (opt:MakeBlastDbParams list) = + + let cmds = (opt |> List.map (MakeBlastDbParams.makeCmdWith bcContext.Mount)) + let tp = "makeblastdb"::(cmds |> List.concat) + + printfn "Starting process makeblastdb\r\nparameters:" + cmds |> List.iter (fun op -> printfn "\t%s" (String.concat " " op)) + + async { + let! res = BioContainer.execAsync bcContext tp + return res + } + +let runMakeBlastDB (bcContext:BioContainer.BcContext) (opt:MakeBlastDbParams list) = + + runMakeBlastDBAsync bcContext opt + |> Async.RunSynchronously \ No newline at end of file diff --git a/docsrc/content/index.fsx b/docsrc/content/index.fsx index 2982c6eb..83bd4fe7 100644 --- a/docsrc/content/index.fsx +++ b/docsrc/content/index.fsx @@ -48,8 +48,8 @@ Installation You can get the stable versions of all BioFSharp packages from nuget: 
-PM> Install-Package BioFSharp
-> paket add BioFSharp
+Install-Package BioFSharp
+paket add BioFSharp
All associated packages can be found [here](https://www.nuget.org/profiles/CSBiology) diff --git a/docsrc/files/img/MakeBlastDBParams.png b/docsrc/files/img/MakeBlastDBParams.png new file mode 100644 index 0000000000000000000000000000000000000000..ad57d9fd6330725626ea56f5862a7f8be6e537aa GIT binary patch literal 267466 zcmdSBWl&pP*fv^9fl>+-C~hrnaRS9HxU@Kh;t-^`1h)Vw?ohnN-QAty#R+c3-QANM z+UI%RZ@%;I{5do4o=Gx+y|dR^w_n%2SFnp^H+J4Yh1ILg4Pe@8lE{I#G=_1raQ@=v+b52dz#rrxg8ptVrseQ3 za)0$M7=o_ie;x7#%kc-x-#%fwM`3rv`Sk^7X2-fb#$neo2c#2ublE*&ZG;*yqg?aFt^4xg*gSyxN2^+C(Dp5;M{u$C4imF8>E z{~V`NNO8nFn*WYW!EO;&y#Eg6RHO8S|2dU@esl!cUJCL8zf3Gd?9y!fksut9eZ)Rv4QTLdROe6j^J zTXB|xwc=I>Z6PKsNvI~3;MiFjNx!5&o6D*oAw=?rz>0b+WfmU-vS4qfPbgwCWqSc zT8Dq?QSTZRMY^Cpxh@9T=!H^iw)7e}!61$z#imZ+%5ZDsjrVJ20h-NhrX*Vp^YLICCux6=f)Q2@`dw1 z1p5v14Fb<`cFKYy$VB340?u^iWkOh~V5`mA*sKsAmFW%o%ygh7nbqAEkbc}S!C@Q( zXg4pBoYwi33(^kQ^^DNi+k+4NfojC(hE`yc+THEP>5%G2ld=EII#{nDBOVB^d7_ZMj zG@pVjD^4x#*b+x7Z+weTqmY 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  • BioContainers
  • Introduction
    • -
  • Container API Design Guide
    • -
  • Blast Container
    • +
  • Container API Design Guide
  • Algorithm
  • Alignment
  • Clustal Omega
    • From d85b408967adad90d7e60b5b1a57a9b65d53c753 Mon Sep 17 00:00:00 2001 From: kMutagene Date: Thu, 20 Feb 2020 11:25:35 +0100 Subject: [PATCH 05/13] Add dependency constraints --- paket.dependencies | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/paket.dependencies b/paket.dependencies index 9a77b8f1..8e8f3cc3 100644 --- a/paket.dependencies +++ b/paket.dependencies @@ -5,7 +5,7 @@ framework: net45, net47, netstandard2.0, netstandard2.1 strategy: max nuget FSharp.Core >= 4.7.0 -nuget Alea +nuget Alea >= 3.0.4 nuget FSharpAux >= 1.0.0 nuget FSharpAux.IO >= 1.0.0 nuget FSharp.Stats >= 0.2.1-beta @@ -15,7 +15,7 @@ nuget docker.dotnet >= 3.125.2 nuget SharpZipLib >= 1.2.0 nuget CNTK.CPUOnly >= 2.7.0 nuget Microsoft.Xaml >= 4.0.0.1 -nuget Argu +nuget Argu nuget Expecto nuget Expecto.BenchmarkDotNet nuget Expecto.FsCheck @@ -23,8 +23,8 @@ nuget Expecto.FsCheck group BioDB source https://www.nuget.org/api/v2 nuget SwaggerProvider >= 0.10 - nuget YamlDotNet - nuget FSharp.Data.TypeProviders + nuget YamlDotNet >= 8.1.0 + nuget FSharp.Data.TypeProviders >= 5.0.0.6 group Formatting From 8e463f8cbc87797261520519b876b836d0b55bde Mon Sep 17 00:00:00 2001 From: kMutagene Date: Thu, 20 Feb 2020 11:26:25 +0100 Subject: [PATCH 06/13] Improve DSL for Blast biocontainer API --- src/BioFSharp.BioContainers/Blast.fs | 120 +++++++++++++++++++++++---- 1 file changed, 105 insertions(+), 15 deletions(-) diff --git a/src/BioFSharp.BioContainers/Blast.fs b/src/BioFSharp.BioContainers/Blast.fs index be1cd6f2..fc271a46 100644 --- a/src/BioFSharp.BioContainers/Blast.fs +++ b/src/BioFSharp.BioContainers/Blast.fs @@ -7,7 +7,25 @@ module Blast = open FSharpAux.IO.SchemaReader.Attribute open BioContainer open BioContainerIO - + + ///Input file type for makeblastdb + type MakeBlastDBInputType = + ///fasta: for FASTA file(s) + |Fasta + ///blastdb: for BLAST database(s) + |Blastdb + ///asn1_txt: for Seq-entries in text ASN.1 format + |Asn1Txt + ///asn1_bin: for Seq-entries in binary ASN.1 format + |ASN1Bin + + static member make = function + |Fasta -> "fasta" + |Blastdb -> "blastdb" + |Asn1Txt -> "asn1_txt" + |ASN1Bin -> "asn1_bin" + + ///Molecule type of input, values can be nucl or prot type DbType = | Protein | Nucleotide @@ -16,20 +34,75 @@ module Blast = | Protein -> "prot" | Nucleotide -> "nucl" - - type MakeDbParams = - | Input of string - | Output of string - | DbType of DbType - | MaskData of string + ///DSL for command line arguments for the NCBI makeblastdb tool + type MakeBlastDbParams = + ///Input file/database name + | Input of string + ///Input file type for makeblastdb + | InputType of MakeBlastDBInputType + ///Molecule type of input, values can be nucl or prot + | DbType of DbType + ///Title for BLAST database. If not set, the input file name will be used + | Title of string + ///Parse bar delimited sequence identifiers (e.g., gi|129295) in FASTA input | ParseSeqIds + ///Create index of sequence hash values + | HashIndex + ///Comma-separated list of input files containing masking data as produced by NCBI masking applications (e.g. dustmasker, segmasker, windowmasker + | MaskData of string list + ///Name of BLAST database to be created. Input file name is used if none provided. This field is required if input consists of multiple files + | Output of string + ///Maximum file size to use for BLAST database. 4GB is the maximum supported by the database structure + | MaxFileSize of string + ///Taxonomy ID to assign to all sequences. + | TaxId of int + ///File with two columns mapping sequence ID to the taxonomy ID. The first column is the sequence ID represented as one of: + /// + ///1 + ///fasta with accessions (e.g., emb|X17276.1|) + /// + ///2 + ///fasta with GI (e.g., gi|4) + /// + ///3 + ///GI as a bare number (e.g., 4) + /// + ///4 + ///A local ID. The local ID must be prefixed with "lcl" (e.g., lcl|4). + ///The second column should be the NCBI taxonomy ID (e.g., 9606 for human). + | TaxIdMapFile of string + ///Program log file (default is stderr). + | Logfile of string + ///returns the string form of command line argument DSL for makeblastdb + static member makeCmd = function + | Input (path) -> ["-in" ; path] + | InputType it -> ["-input_type" ; MakeBlastDBInputType.make it] + | DbType (dbt) -> ["-dbtype" ; DbType.make dbt] + | Title t -> ["-title" ; t] + | ParseSeqIds -> ["-parse_seqids"] + | HashIndex -> ["-hash_index"] + | MaskData (paths) -> ["-mask_data" ; paths |> String.concat ","] + | Output (path) -> ["-out" ; path] + | MaxFileSize fs -> ["-max_file_size"; fs] + | TaxId tid -> ["-taxid" ; sprintf "%i" tid] + | TaxIdMapFile (path) -> ["-taxid_map" ; path] + | Logfile(path) -> ["-logfile" ; path] + + ///returns the string form of command line argument DSL for makeblastdb with paths adjusted for container localization static member makeCmdWith (m: MountInfo) = function - | Input (path) -> ["-in" ;(MountInfo.containerPathOf m path)] - | Output (path) -> ["-out" ;(MountInfo.containerPathOf m path)] - | DbType (dbt) -> ["-dbtype"; (DbType.make dbt)] - | MaskData (path) -> ["-mask_data"; (sprintf "%s.asnb") (MountInfo.containerPathOf m path)] - | ParseSeqIds -> ["-parse_seqids"] + | Input (path) -> ["-in" ; MountInfo.containerPathOf m path] + | InputType it -> ["-input_type" ; MakeBlastDBInputType.make it] + | DbType (dbt) -> ["-dbtype" ; DbType.make dbt] + | Title t -> ["-title" ; t] + | ParseSeqIds -> ["-parse_seqids"] + | HashIndex -> ["-hash_index"] + | MaskData (paths) -> ["-mask_data" ; paths |> List.map (MountInfo.containerPathOf m) |> String.concat ","] + | Output (path) -> ["-out" ; MountInfo.containerPathOf m path] + | MaxFileSize fs -> ["-max_file_size"; fs] + | TaxId tid -> ["-taxid" ; sprintf "%i" tid] + | TaxIdMapFile (path) -> ["-taxid_map" ; MountInfo.containerPathOf m path] + | Logfile(path) -> ["-logfile" ; MountInfo.containerPathOf m path] type OutputType = @@ -175,6 +248,23 @@ module Blast = | Num_threads of int | Max_Hits of int + static member makeCmd = function + | SearchDB (path) -> ["-db" ; path] + | Query (path) -> ["-query" ; path] + | Output (path) -> ["-out" ; path] + | OutputType(format) -> ["-outfmt"; string (format |> OutputType.make)] + | OutputTypeCustom(t,p) -> let tmp = + p + |> Seq.map OutputCustom.make + |> String.concat " " + match t with + | OutputType.Tabular -> ["-outfmt"; sprintf "%s %s" (string (t |> OutputType.make)) tmp] + | OutputType.TabularWithComments -> ["-outfmt"; sprintf "%s %s" (string (t |> OutputType.make)) tmp] + | OutputType.CSV -> ["-outfmt"; sprintf "%s %s" (string (t |> OutputType.make)) tmp] + | _ -> failwithf "Output format %A does not support custom columns." t + | Num_threads(i) -> ["-num_threads"; string i] + | Max_Hits (i) -> ["-max_target_seqs"; string i] + static member makeCmdWith (m: MountInfo) = function | SearchDB (path) -> ["-db" ; (MountInfo.containerPathOf m path)] | Query (path) -> ["-query" ; (MountInfo.containerPathOf m path)] @@ -193,9 +283,9 @@ module Blast = | Max_Hits (i) -> ["-max_target_seqs"; string i] - let runMakeBlastDBAsync (bcContext:BioContainer.BcContext) (opt:MakeDbParams list) = + let runMakeBlastDBAsync (bcContext:BioContainer.BcContext) (opt:MakeBlastDbParams list) = - let cmds = (opt |> List.map (MakeDbParams.makeCmdWith bcContext.Mount)) + let cmds = (opt |> List.map (MakeBlastDbParams.makeCmdWith bcContext.Mount)) let tp = "makeblastdb"::(cmds |> List.concat) printfn "Starting process makeblastdb\r\nparameters:" @@ -206,7 +296,7 @@ module Blast = return res } - let runMakeBlastDB (bcContext:BioContainer.BcContext) (opt:MakeDbParams list) = + let runMakeBlastDB (bcContext:BioContainer.BcContext) (opt:MakeBlastDbParams list) = runMakeBlastDBAsync bcContext opt |> Async.RunSynchronously From ea101a7f8d73bcf1fc19d993f3eda43ec81d34de Mon Sep 17 00:00:00 2001 From: kMutagene Date: Thu, 20 Feb 2020 11:43:07 +0100 Subject: [PATCH 07/13] Add Release Notes to docs page --- docsrc/tools/templates/template.cshtml | 1 + 1 file changed, 1 insertion(+) diff --git a/docsrc/tools/templates/template.cshtml b/docsrc/tools/templates/template.cshtml index 0432e8fc..08d7796a 100644 --- a/docsrc/tools/templates/template.cshtml +++ b/docsrc/tools/templates/template.cshtml @@ -41,6 +41,7 @@
  • @Properties["project-name"]
  • Home page
  • +
  • Release Notes
  • Getting started
    • @*
  • From 36cc63a6565bd98d961a7df32323efc7fadb6b3f Mon Sep 17 00:00:00 2001 From: Lukas Weil Date: Sun, 23 Feb 2020 16:28:08 +0100 Subject: [PATCH 08/13] improve Sailent.compute characterization speed (#82) * improve Sailent.compute characterization speed * fix Sailent.compute negativeBinSum Negative bins should not be assigned positive binSums, making the abs function erroneous Co-Authored-By: Kevin Schneider * fix Sailent.compute positive binSum Unnecessary abs function might decrease speed Co-Authored-By: Kevin Schneider Co-authored-by: Kevin Schneider --- ...rprisalAnalysisEmpiricalPermutationTest.fs | 92 +++++++------------ 1 file changed, 35 insertions(+), 57 deletions(-) diff --git a/src/BioFSharp.Stats/SurprisalAnalysisEmpiricalPermutationTest.fs b/src/BioFSharp.Stats/SurprisalAnalysisEmpiricalPermutationTest.fs index 371509b2..3f15292d 100644 --- a/src/BioFSharp.Stats/SurprisalAnalysisEmpiricalPermutationTest.fs +++ b/src/BioFSharp.Stats/SurprisalAnalysisEmpiricalPermutationTest.fs @@ -27,10 +27,6 @@ module Sailent = let private createSailentResult raw abs pos neg iter = {RawData=raw; AbsoluteDescriptor=abs; PositiveDescriptor=pos; NegativeDescriptor=neg; BootstrapIterations=iter} - let private getDistinctGroups (cons:OntologyItem array) = - [for ann in cons do yield ann.OntologyTerm] - |> List.distinct - //create distribution of iter weight sums for a bin of size binSize let private bootstrapBin (binSize: int) (weightArray:float[]) (iter: int) = let steps = iter / 10 @@ -51,30 +47,15 @@ module Sailent = loop 1 [] - let private getBins (term:string) (cons:OntologyItem array) = - [for ann in cons do - if ann.OntologyTerm = term then yield ann - ] - - let private getNegativeBins (term:string) (cons:OntologyItem array) = - [for ann in cons do - if ann.OntologyTerm = term && ann.Item<0. then yield ann - ] - - let private getPositiveBins (term:string) (cons:OntologyItem array) = - [for ann in cons do - if ann.OntologyTerm = term && ann.Item>0. then yield ann - ] - let private getEmpiricalPvalue (testDistributions: Map>) (weightSum:float) (binSize:int) = match Map.tryFind binSize testDistributions with |Some dist -> let testDist = dist float (testDist |> Map.fold (fun acc key value -> if abs key > abs weightSum then acc + value else acc) 0) / (float (testDist |> Map.fold (fun acc key value -> acc + value) 0)) |_ -> 10000000. - let private assignPValues (testDistributions:Map>) (testTargets:(string*int*float)list)= + let private assignPValues (testDistributions:Map>) (testTargets:(string*int*float)[])= testTargets - |> List.map (fun (name,binSize,weightSum) -> createSailentCharacterization name (getEmpiricalPvalue testDistributions weightSum binSize) binSize weightSum) + |> Array.map (fun (name,binSize,weightSum) -> createSailentCharacterization name (getEmpiricalPvalue testDistributions weightSum binSize) binSize weightSum) ///utility function to prepare a dataset column for SAILENT characterization. The ontology map can be created by using the BioFSharp.BioDB module. /// @@ -125,34 +106,31 @@ module Sailent = if verbose then printfn "starting SAILENT characterization" - // get distinct ontology terms in the dataset - let distinctGroups = getDistinctGroups data - - // allocate test targets from the dataset + let groups = data |> Array.groupBy (fun x -> x.OntologyTerm) + let absoluteTestTargets = - distinctGroups - |> List.map (fun (termName) - -> let tmp = getBins termName data - termName,tmp.Length,tmp |> List.sumBy (fun x -> abs x.Item)) - |> List.filter (fun (termName,binSize,weightSum) -> binSize>0) - - let positiveTestTargets = - distinctGroups - |> List.map (fun (termName) - -> let tmp = getPositiveBins termName data - termName,tmp.Length,tmp |> List.sumBy (fun x -> x.Item)) - |> List.filter (fun (termName,binSize,weightSum) -> binSize>0) - - let negativeTestTargets = - distinctGroups - |> List.map (fun (termName) - -> let tmp = getNegativeBins termName data - termName,tmp.Length,tmp |> List.sumBy (fun x -> x.Item)) - |> List.filter (fun (termName,binSize,weightSum) -> binSize>0) - - let absoluteBinsizes = absoluteTestTargets |> List.map (fun (_,binSize,_) -> binSize) |> List.distinct - let positiveBinsizes = positiveTestTargets |> List.map (fun (_,binSize,_) -> binSize) |> List.distinct - let negativeBinsizes = negativeTestTargets |> List.map (fun (_,binSize,_) -> binSize) |> List.distinct + groups + |> Array.map (fun (termName,tmp) -> + termName,tmp.Length,tmp |> Array.sumBy (fun x -> abs x.Item)) + |> Array.filter (fun (termName,binSize,weightSum) -> binSize>0) + + let positiveTestTargets = + groups + |> Array.map (fun (termName,tmp) -> + let tmp = tmp |> Array.filter (fun ann -> ann.Item > 0.) + termName,tmp.Length,tmp |> Array.sumBy (fun x -> x.Item)) + |> Array.filter (fun (termName,binSize,weightSum) -> binSize>0) + + let negativeTestTargets = + groups + |> Array.map (fun (termName,tmp) -> + let tmp = tmp |> Array.filter (fun ann -> ann.Item < 0.) + termName,tmp.Length,tmp |> Array.sumBy (fun x -> x.Item)) + |> Array.filter (fun (termName,binSize,weightSum) -> binSize>0) + + let absoluteBinsizes = absoluteTestTargets |> Array.map (fun (_,binSize,_) -> binSize) |> Array.distinct + let positiveBinsizes = positiveTestTargets |> Array.map (fun (_,binSize,_) -> binSize) |> Array.distinct + let negativeBinsizes = negativeTestTargets |> Array.map (fun (_,binSize,_) -> binSize) |> Array.distinct let weightArr = data |> Array.map (fun ann -> ann.Item) let absWeightArr = weightArr |> Array.map abs @@ -167,7 +145,7 @@ module Sailent = let startTime = System.DateTime.Now absoluteBinsizes - |> List.mapi + |> Array.mapi (fun i binSize -> if verbose && (i % (absoluteBinsizes.Length / 10) = 0 ) then @@ -177,7 +155,7 @@ module Sailent = let tmp = bootstrapBin binSize absWeightArr bootstrapIterations (binSize,Distributions.Frequency.create (Distributions.Bandwidth.nrd0 tmp) tmp) ) - |> Map.ofList + |> Map.ofArray if verbose then printfn "bootstrapping positive test distributions for %i bins" positiveBinsizes.Length let positiveTestDistributions = @@ -185,7 +163,7 @@ module Sailent = let startTime = System.DateTime.Now positiveBinsizes - |> List.mapi + |> Array.mapi (fun i binSize -> if verbose && (i % (positiveBinsizes.Length / 10) = 0 ) then @@ -195,7 +173,7 @@ module Sailent = let tmp = bootstrapBin binSize posWeightArr bootstrapIterations (binSize,Distributions.Frequency.create (Distributions.Bandwidth.nrd0 tmp) tmp) ) - |> Map.ofList + |> Map.ofArray if verbose then printfn "bootstrapping negative test distributions for %i bins" negativeBinsizes.Length let negativeTestDistributions = @@ -203,7 +181,7 @@ module Sailent = let startTime = System.DateTime.Now negativeBinsizes - |> List.mapi + |> Array.mapi (fun i binSize -> if verbose && (i % (negativeBinsizes.Length / 10) = 0 ) then @@ -213,14 +191,14 @@ module Sailent = let tmp = bootstrapBin binSize negWeightArr bootstrapIterations (binSize,Distributions.Frequency.create (Distributions.Bandwidth.nrd0 tmp) tmp) ) - |> Map.ofList + |> Map.ofArray if verbose then printfn "assigning empirical pValues for all bins..." //assign Pvalues for all test targets - let absResults = assignPValues absoluteTestDistributions absoluteTestTargets - let posResults = assignPValues positiveTestDistributions positiveTestTargets - let negResults = assignPValues negativeTestDistributions negativeTestTargets + let absResults = assignPValues absoluteTestDistributions absoluteTestTargets |> Array.toList + let posResults = assignPValues positiveTestDistributions positiveTestTargets |> Array.toList + let negResults = assignPValues negativeTestDistributions negativeTestTargets |> Array.toList createSailentResult data absResults posResults negResults bootstrapIterations From 410b2392f3fc349862b9b0c401615c162cfe0523 Mon Sep 17 00:00:00 2001 From: kMutagene Date: Wed, 26 Feb 2020 14:03:29 +0100 Subject: [PATCH 09/13] Fix GitReleaseNuget build target --- .gitignore | 1 + build.fsx | 2 +- 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/.gitignore b/.gitignore index c900db57..e13934f5 100644 --- a/.gitignore +++ b/.gitignore @@ -186,3 +186,4 @@ docsrc/tools/FSharp.Formatting.svclog docs /temp /pkg +.ionide \ No newline at end of file diff --git a/build.fsx b/build.fsx index d97649d6..86ae784b 100644 --- a/build.fsx +++ b/build.fsx @@ -594,7 +594,7 @@ Target.create "GitReleaseNuget" (fun _ -> let tempNugetDir = "temp/nuget" Shell.cleanDir tempNugetDir |> ignore Git.Repository.cloneSingleBranch "" (gitHome + "/" + gitName + ".git") "nuget" tempNugetDir - let files = Directory.EnumerateFiles bin + let files = Directory.EnumerateFiles pkgDir Shell.copy tempNugetDir files Git.Staging.stageAll tempNugetDir Git.Commit.exec tempNugetDir (sprintf "Update git nuget packages for version %s" release.NugetVersion) From da0ba0cfa8807fad2032be66054125bd12f732c2 Mon Sep 17 00:00:00 2001 From: kMutagene Date: Wed, 26 Feb 2020 16:39:08 +0100 Subject: [PATCH 10/13] Refactor SOFT Parser --- src/BioFSharp.IO/BioFSharp.IO.fsproj | 1 + src/BioFSharp.IO/FSIPrinters.fs | 158 +++ src/BioFSharp.IO/GenerateSOFTTypes.fsx | 326 +++++ src/BioFSharp.IO/SOFT.fs | 1801 +++++++++++++++++++----- 4 files changed, 1965 insertions(+), 321 deletions(-) create mode 100644 src/BioFSharp.IO/GenerateSOFTTypes.fsx diff --git a/src/BioFSharp.IO/BioFSharp.IO.fsproj b/src/BioFSharp.IO/BioFSharp.IO.fsproj index 3d44103f..57655c44 100644 --- a/src/BioFSharp.IO/BioFSharp.IO.fsproj +++ b/src/BioFSharp.IO/BioFSharp.IO.fsproj @@ -23,6 +23,7 @@ Debug;Release;Mono;DotnetCore + diff --git a/src/BioFSharp.IO/FSIPrinters.fs b/src/BioFSharp.IO/FSIPrinters.fs index 3c917476..4634932c 100644 --- a/src/BioFSharp.IO/FSIPrinters.fs +++ b/src/BioFSharp.IO/FSIPrinters.fs @@ -107,3 +107,161 @@ module FSIPrinters = let prettyPrintGFF3 (input : seq>>) = toString id input |> Seq.iter (fun x -> printfn "%s" x) + + + let prettyPrintGSE (gse:GSE) = + + let formatSingleEntry rootIdent (s: string) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + s + |> String.split ' ' + |> Array.chunkBySize 15 + |> Array.map (String.concat " ") + |> Array.mapi (fun i s -> if i = 0 then s else sprintf "%s%s" ident s) + |> String.concat "\r\n" + + + let formatMultiEntries rootIdent (l: string list) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + l + |> List.map + (fun summary -> + summary + |> String.split ' ' + |> Array.chunkBySize 15 + |> Array.map (String.concat " ") + ) + |> Array.concat + |> Array.mapi (fun i s -> if i = 0 then s else sprintf "%s%s" ident s) + |> String.concat "\r\n" + + let formatSamples rootIdent (sm : Map) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + sm + |> Map.toList + |> List.map + (fun (k,v) -> + sprintf "%s => %s" k v.Title + ) + |> List.mapi (fun i s -> if i = 0 then s else sprintf "%s%s" ident s) + |> String.concat "\r\n" + + + let formatPlatforms rootIdent (sm : Map) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + sm + |> Map.toList + |> List.map + (fun (k,v) -> + sprintf "%s => %s" k v.Title + ) + |> List.mapi (fun i s -> if i = 0 then s else sprintf "%s%s" ident s) + |> String.concat "\r\n" + + sprintf + """ +GEO SERIES RECORD %s +==================%s + +Type(s): %s + +Platform(s): %s + +Title: %s + +Contributor(s): %s + +Design: %s + +Summary: %s + +Samples %s + """ + gse.SeriesMetadata.Accession + (gse.SeriesMetadata.Accession |> String.map (fun c -> '=')) + (gse.SeriesMetadata.Type |> formatMultiEntries 4) + (gse.PlatformMetadata |> formatPlatforms 4) + (gse.SeriesMetadata.Title |> formatSingleEntry 4) + (gse.SeriesMetadata.Contributor |> formatMultiEntries 4) + (gse.SeriesMetadata.OverallDesign |> formatMultiEntries 4) + (gse.SeriesMetadata.Summary |> formatMultiEntries 4) + (gse.SampleMetadata |> formatSamples 4) + + let prettyPrintGPL (gpl:GPL) = + + let formatSingleEntry rootIdent (s: string) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + s + |> String.split ' ' + |> Array.chunkBySize 15 + |> Array.map (String.concat " ") + |> Array.mapi (fun i s -> if i = 0 then s else sprintf "%s%s" ident s) + |> String.concat "\r\n" + + + let formatMultiEntries rootIdent (l: string list) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + l + |> List.map + (fun summary -> + summary + |> String.split ' ' + |> Array.chunkBySize 15 + |> Array.map (String.concat " ") + ) + |> Array.concat + |> Array.mapi (fun i s -> if i = 0 then s else sprintf "%s%s" ident s) + |> String.concat "\r\n" + + let formatSamples rootIdent (sm : Map) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + sm + |> Map.toList + |> List.map + (fun (k,v) -> + sprintf "%s => %s" k v.Title + ) + |> List.mapi (fun i s -> if i = 0 then s else sprintf "%s%s" ident s) + |> String.concat "\r\n" + + + let formatSeries rootIdent (sm : Map) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + sm + |> Map.toList + |> List.map + (fun (k,v) -> + sprintf "%s => %s" k v.Title + ) + |> List.mapi (fun i s -> if i = 0 then s else sprintf "%s%s" ident s) + |> String.concat "\r\n" + + sprintf + """ +GEO PLATFORM RECORD %s +====================%s + +Title: %s + +Organism(s): %s + +Description: %s + +Technology: %s + +Contributor(s): %s + +Series(s): %s + +Samples %s + """ + gpl.PlatformMetadata.Accession + (gpl.PlatformMetadata.Accession |> String.map (fun c -> '=')) + (gpl.PlatformMetadata.Title |> formatSingleEntry 4) + (gpl.PlatformMetadata.Organism |> formatMultiEntries 4) + (gpl.PlatformMetadata.Description |> formatMultiEntries 4) + (gpl.PlatformMetadata.Technology |> formatSingleEntry 4) + (gpl.PlatformMetadata.Contributor |> formatMultiEntries 4) + (gpl.SeriesMetadata |> formatSeries 4) + (gpl.SampleMetadata |> formatSamples 4) + diff --git a/src/BioFSharp.IO/GenerateSOFTTypes.fsx b/src/BioFSharp.IO/GenerateSOFTTypes.fsx new file mode 100644 index 00000000..895b1993 --- /dev/null +++ b/src/BioFSharp.IO/GenerateSOFTTypes.fsx @@ -0,0 +1,326 @@ +#I @"../../bin/BioFSharp.IO/net47/" +#r "FSharpAux.IO.dll" +#r "FSharpAux.dll" + +open FSharpAux +open FSharpAux.IO +open FSharpAux.IO.SchemaReader +open FSharpAux.IO.SchemaReader.Attribute + + +type UnionFormat = { + Description: string + Name: string + NameSource : string + Type: string option + Amount: string +} + +type Union = { + Name : string + Unions: UnionFormat [] +} + +let generateUnionTypeString (rootIdent:int) (format : Union) = + let binding = sprintf "type %s = " format.Name + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + let body = + format.Unions + |> Array.map (fun union -> match union.Type with + | Some t -> sprintf "///%s \r\n%s| %s of %s" union.Description ident union.Name t + | _ -> sprintf "///%s \r\n%s| %s" union.Description ident union.Name + ) + let additional = + sprintf "///Custom Attributes Used in the SOFT file\r\n%s|AdditionalAttribute of string*string" ident + Array.concat [[|binding|];body;[|additional|]] + |> Array.map (fun x -> sprintf "%s%s" ident x) + |> String.concat "\r\n" + + +type SOFTSpecification = { + [] + FieldName : string + [] + Amount : string + [] + Type: string + [] + Description: string +} + +let softSpecificationReader = Csv.CsvReader(SchemaMode = Csv.SchemaModes.Fill) + +let seriesSpecPath = @"C:\Users\kevin\Downloads\CsbScaffold-master\MetaIndexing_New\data\SOFTSeriesSpecifications.txt" +let sampleSpecPath = @"C:\Users\kevin\Downloads\CsbScaffold-master\MetaIndexing_New\data\SOFTSampleSpecifications.txt" +let platformSpecPath = @"C:\Users\kevin\Downloads\CsbScaffold-master\MetaIndexing_New\data\SOFTPlatformSpecifications.txt" + +let seriesSpec = + softSpecificationReader.ReadFile(seriesSpecPath, '\t', false) + |> Array.ofSeq +let sampleSpec = + softSpecificationReader.ReadFile(sampleSpecPath, '\t', false) + |> Array.ofSeq +let platformSpec = + softSpecificationReader.ReadFile(platformSpecPath, '\t', false) + |> Array.ofSeq + + +let generateUnionType (typeName:string) specs = + specs + |> Array.map (fun spec -> let t = + if (spec.FieldName).Contains("[n]") && (spec.FieldName).Contains("list") then + "int * (string list)" + elif (spec.FieldName).Contains("[n]") then + "int * string" + else + "string" + + + { + Description = spec.Description + Name = + spec.FieldName + .Remove(0,1) + .Replace("_[n]", "") + .Replace("_ch[n]", "") + .Replace((typeName.ToUpper()), "Accession") + .Replace((sprintf "%s_" typeName),"") + .Split('_') + |> fun x -> + printfn "%A" x + x + |> Array.map + (fun splits -> + printfn "%A" splits + let first = splits.[0].ToString().ToUpper() + sprintf "%s%s" first (splits.Substring(1)) + ) + |> Array.reduce (sprintf "%s%s") + NameSource = spec.FieldName + Type = Some t + Amount = spec.Amount + }) + |> (fun unions -> {Name = (sprintf "SOFT%sSpecifications" typeName); Unions = unions}) + +let (|IsMultiSpec|_|) (ident:string,name:string,u:UnionFormat) = + match u.Type with + | Some t when t = "int * string" -> + Some + (sprintf + """ +%s if k.Contains("%s") then +%s let index = +%s k +%s .Replace("%s","") +%s .Replace("%s","") +%s |> int +%s Some (%s.%s(index,v)) + """ + ident + (u.NameSource + .Replace("ch[n]","") + .Replace("[n]","")) + ident + ident + ident + (u.NameSource + .Replace("[n]","") + ) + ident + (u.NameSource + .Replace("ch[n]","")) + ident + ident + name + u.Name) + | _ -> None + +let (|IsMultiSpecList|_|) (ident:string,name:string,u:UnionFormat) = + match u.Type with + | Some t when t = "int * (string list)" -> + Some + (sprintf + """ +%s if k.Contains("%s") then +%s let index = +%s k +%s .Replace("%s","") +%s .Replace("%s","") +%s |> int +%s let keyList = +%s v.Split(',') |> Array.toList +%s Some (%s.%s(index,keyList)) +%s """ + ident + (u.NameSource + .Replace("ch[n]","") + .Replace("[n]","")) + ident + ident + ident + (u.NameSource + .Replace("[n]","") + ) + ident + (u.NameSource + .Replace("ch[n]","")) + ident + ident + ident + ident + name + u.Name + ident + ) + | _ -> None + +let generateActivePatterns (rootIdent:int) (union:Union) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + union.Unions + |> Array.map + (fun u -> + let name = sprintf "let (|%s|_|) ((k:string),(v:string)) =" u.Name + let body1 = + match (ident,union.Name,u) with + |IsMultiSpec res -> res + |IsMultiSpecList res -> res + |_ -> sprintf " if k=\"%s\" then\r\n %sSome(%s.%s v)" u.NameSource ident union.Name u.Name + let body3 = sprintf " else" + let body4 = " None" + [name;body1;body3;body4] + |> List.map (fun x -> sprintf "%s%s" ident x) + |> String.concat "\r\n" + ) + +let generateRecordType recordName (rootIdent:int) (union:Union) = + let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" + + let verificationOfUnionFormat ident (u:UnionFormat) = + match u.Amount with + |"1" -> + sprintf + """ +%s |> listMustContainExactlyOne "%s must be exactly one value" + """ + ident + u.Name + |"1 or more" -> + sprintf + """ +%s |> listMustContainOneOrMore "%s must be one or more values" + """ + ident + u.Name + | _ -> "" + + let recordBinding = + sprintf "%stype %s = {" ident recordName + + let recordFields = + union.Unions + |> Array.map + (fun u -> + sprintf + "%s %s : %s;" + ident + u.Name + (match u.Amount with + |"1" -> u.Type.Value + |_ -> sprintf "(%s) list" u.Type.Value) + ) + + let extractors = + union.Unions + |> Array.map + (fun u -> + sprintf + """ +%s %s = +%s specList +%s |> List.choose +%s (fun spec -> +%s match spec with +%s | %s.%s v -> Some v +%s | _ -> None +%s ) + %s + """ + ident + u.Name + ident + ident + ident + ident + ident + union.Name + u.Name + ident + ident + (verificationOfUnionFormat ident u) + ) + [| + [|recordBinding|] + recordFields + [|sprintf "%s}" ident|] + [|sprintf "%slet create%s =" ident recordName|] + [|sprintf "%s {" ident|] + extractors + [|sprintf "%s}" ident|] + |] + |> Array.concat + |> Array.filter (fun x -> not (x = "")) + |> String.concat "\r\n" + + + +let platformUnion = generateUnionType "Platform" platformSpec +let platformUnionString = platformUnion |> generateUnionTypeString 2 +let platformActivePatterns = platformUnion |> generateActivePatterns 3 +let platformRecord = platformUnion |> generateRecordType "PlatformRecord" 1 + +let seriesUnion = generateUnionType "Series" seriesSpec +let seriesUnionString = seriesUnion |> generateUnionTypeString 2 +let seriesActivePatterns = seriesUnion |> generateActivePatterns 3 +let seriesRecord = seriesUnion |> generateRecordType "SeriesRecord" 1 + +let sampleUnion = generateUnionType "Sample" sampleSpec +let sampleUnionString = sampleUnion |> generateUnionTypeString 2 +let sampleActivePatterns = sampleUnion |> generateActivePatterns 3 +let sampleRecord = sampleUnion |> generateRecordType "SampleRecord" 1 + + +let generatorBody = + sprintf + """ +module Generated = + + module Specifications = + +%s + +%s + +%s + + module Lexing = + + open Specifications + + [] + module Platform = + +%s + [] + module Series = +%s + [] + module Sample = +%s + """ + platformUnionString + seriesUnionString + sampleUnionString + + (platformActivePatterns |> String.concat "\r\n") + (seriesActivePatterns |> String.concat "\r\n") + (sampleActivePatterns |> String.concat "\r\n") diff --git a/src/BioFSharp.IO/SOFT.fs b/src/BioFSharp.IO/SOFT.fs index d3d0d7b6..59205996 100644 --- a/src/BioFSharp.IO/SOFT.fs +++ b/src/BioFSharp.IO/SOFT.fs @@ -1,349 +1,1508 @@ namespace BioFSharp.IO +[] module SOFT = + + module Generated = + + module Specifications = + + type SOFTPlatformSpecifications = + ///Provide an identifier for this entity. This identifier is used only as an internal reference within a given file. The identifier will not appear on final GEO records. + | Accession of string + ///"Provide a unique title that describes your Platform. We suggest that you use the system [institution/lab]-[species]-[number of features]-[version], e.g. ""FHCRC Mouse 15K v1.0""." + | Title of string + ///"Microarrays are 'commercial', 'non-commercial', or 'custom-commercial' in accordance with how the array was manufactured. Use 'virtual' only if creating a virtual definition for MPSS, SARST, or RT-PCR data." + | Distribution of string + ///Select the category that best describes the Platform technology. + | Technology of string + ///Identify the organism(s) from which the features on the Platform were designed or derived. + | Organism of string + ///"Provide the name of the company, facility or laboratory where the array was manufactured or produced." + | Manufacturer of string + ///"Describe the array manufacture protocol. Include as much detail as possible, e.g., clone/primer set identification and preparation, strandedness/length, arrayer hardware/software, spotting protocols. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission." + | ManufactureProtocol of string + ///Provide the manufacturer catalog number for commercially-available arrays. + | CatalogNumber of string + ///Specify a Web link that directs users to supplementary information about the array. Please restrict to Web sites that you know are stable. + | WebLink of string + ///"Provide the surface type of the array, e.g., glass, nitrocellulose, nylon, silicon, unknown." + | Support of string + ///"Provide the coating of the array, e.g., aminosilane, quartz, polysine, unknown." + | Coating of string + ///"Provide any additional descriptive information not captured in another field, e.g., array and/or feature physical dimensions, element grid system." + | Description of string + ///List all people associated with this array design. + | Contributor of string + ///Specify a valid PubMed identifier (PMID) that references a published article that describes the array. + | PubmedId of string + ///Only use for performing�updates�to existing GEO records. + | GeoAccession of string + ///Indicates the start of the data table. + | TableBegin of string + ///Indicates the end of the data table. + | TableEnd of string + ///Custom Attributes Used in the SOFT file + |AdditionalAttribute of string*string + + type SOFTSeriesSpecifications = + ///Provide an identifier for this entity. This identifier is used only as an internal reference within a given file. The identifier will not appear on final GEO records. + | Accession of string + ///Provide a unique title that describes the overall study. + | Title of string + ///Summarize the goals and objectives of this study. The abstract from the associated publication may be suitable. You can include as much text as you need to thoroughly describe the study. + | Summary of string + ///"Provide a description of the experimental design. Indicate how many Samples are analyzed, if replicates are included, are there control and/or reference Samples, dye-swaps, etc." + | OverallDesign of string + ///"Specify a valid PubMed identifier (PMID) that references a published article describing this study. Most commonly, this information is not available at the time of submission - it can be added later once the data are published." + | PubmedId of string + ///Specify a Web link that directs users to supplementary information about the study. Please restrict to Web sites that you know are stable. + | WebLink of string + ///List all people associated with this study. + | Contributor of string + ///"Indicate the variable type(s) investigated in this study, e.g.,"!Series_variable_1 = age!Series_variable_2 = age"NOTE - this information is optional and does not appear in Series records or downloads, but will be used to assemble corresponding GEO DataSet records." + | Variable of int * string + ///"Describe each variable, e.g.,"!Series_variable_description_1 = 2 months!Series_variable_description_2 = 12 months"NOTE - this information is optional and does not appear in Series records or downloads, but will be used to assemble corresponding GEO DataSet records." + | VariableDescription of int * string + ///"List which Samples belong to each group, e.g.,""!Series_variable_sample_list_1 = samA, samB""!Series_variable_sample_list_2 = samC, samD""NOTE - this information is optional and does not appear in Series records or downloads, but will be used to assemble corresponding GEO DataSet records." + | VariableSampleList of int * (string list) + ///"Indicate the repeat type(s), e.g.,"!Series_repeats_1 = biological replicate!Series_repeats_2 = biological replicate"NOTE - this information is optional and does not appear in Series records or downloads, but will be used to assemble corresponding GEO DataSet records." + | Repeats of int * string + ///"List which Samples belong to each group, e.g.,""!Series_repeats_sample_list_1 = samA, samB""!Series_repeats_sample_list_2 = samC, samD""NOTE - this information is optional and does not appear in Series records or downloads, but will be used to assemble corresponding GEO DataSet records." + | RepeatsSampleList of int * (string list) + ///"Reference the Samples that make up this experiment. Reference the Sample accession numbers (GSMxxx) if the Samples already exists in GEO, or reference the ^Sample identifiers if they are being submitted in the same file." + | SampleId of string + ///Only use for performing�updates�to existing GEO records. + | GeoAccession of string + ///"Indicates the type(s) of experiment conducted in the Series" + | Type of string + ///"Time of submission to GEO" + | SubmissionDate of string + ///Custom Attributes Used in the SOFT file + |AdditionalAttribute of string*string + + type SOFTSampleSpecifications = + ///Provide an identifier for this entity. This identifier is used only as an internal reference within a given file. The identifier will not appear on final GEO records. + | Accession of string + ///"Provide a unique title that describes this Sample. We suggest that you use the system [biomaterial]-[condition(s)]-[replicate number], e.g., Muscle_exercised_60min_rep2." + | Title of string + ///"Examples of supplementary file types include original Affymetrix CEL and EXP files, GenePix GPR files, and TIFF image files. Supplementary files should be zipped or tarred together with the SOFT file at time of submission (do not include any sub-directories or sub-folders in your zip/tar archive). Provision of supplementary raw data files facilitates the unambiguous interpretation of data and potential verification of conclusions as set forth in the MIAME guidelines." + | SupplementaryFile of int * string + ///- Affymetrix CHP file name:"If your processed data are CHP files, you can reference the CHP file name in this field. If your manuscript discusses data processed by RMA or another algorithm, we recommend providing those values in the�table section. There is no need to specify the !Sample_platform_id when CHP files are supplied. All external files should be zipped or tarred together with the SOFT file at time of submission."- Tab-delimited table file name:"If it is convenient for you to generate, you can reference the name of an external tab-delimited table file (see format) in this field, rather than include the table in the !Sample_table_begin section. All external files should be zipped or tarred together with the SOFT file at time of submission." + | Table of string + ///"Briefly identify the biological material and the experimental variable(s), e.g., vastus lateralis muscle, exercised, 60 min." + | SourceName of int * string + ///Identify the organism(s) from which the biological material was derived. + | Organism of int * string + ///"Describe all available characteristics of the biological source, including factors not necessarily under investigation. Provide in 'Tag: Value' format, where 'Tag' is a type of characteristic (e.g. ""gender"", ""strain"", ""tissue"", ""developmental stage"", ""tumor stage"", etc), and 'Value' is the value for each tag (e.g. ""female"", ""129SV"", ""brain"", ""embryo"", etc). Include as many characteristics fields as necessary to thoroughly describe your Samples." + | Characteristics of int * string + ///"Specify the name of the company, laboratory or person that provided the biological material." + | BiomaterialProvider of int * string + ///Describe any treatments applied to the biological material prior to extract preparation. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission. + | TreatmentProtocol of int * string + ///Describe the conditions that were used to grow or maintain organisms or cells prior to extract preparation. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission. + | GrowthProtocol of int * string + ///Specify the type of molecule that was extracted from the biological material. + | Molecule of int * string + ///Describe the protocol used to isolate the extract material. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission. + | ExtractProtocol of int * string + ///"Specify the compound used to label the extract e.g., biotin, Cy3, Cy5, 33P." + | Label of int * string + ///Describe the protocol used to label the extract. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission. + | LabelProtocol of int * string + ///"Describe the protocols used for hybridization, blocking and washing, and any post-processing steps such as staining. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission." + | HybProtocol of string + ///"Describe the scanning and image acquisition protocols, hardware, and software. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission." + | ScanProtocol of string + ///"Provide details of how data in the VALUE column of your table were generated and calculated, i.e., normalization method, data selection procedures and parameters, transformation algorithm (e.g., MAS5.0), and scaling parameters. You can include as much text as you need to thoroughly describe the processing procedures." + | DataProcessing of string + ///"Include any additional information not provided in the other fields, or paste in broad descriptions that cannot be easily dissected into the other fields." + | Description of string + ///"Reference the Platform upon which this hybridization was performed. Reference the Platform accession number (GPLxxx) if the Platform already exists in GEO, or reference the ^Platform identifier if the Platform record is being batch submitted within the same SOFT file. To identify the accession number of an existing commercial Platform in GEO, use the�FIND PLATFORM�tool." + | PlatformId of string + ///Only use for performing�updates�to existing GEO records. + | GeoAccession of string + ///Use for SAGE submissions only. + | Anchor of string + ///Use for SAGE submissions only. + | Type of string + ///Use for SAGE submissions only. + | TagCount of string + ///Use for SAGE submissions only. + | TagLength of string + ///Indicates the start of the data table. + | TableBegin of string + ///Indicates the end of the data table. + | TableEnd of string + ///"Sample relation, e.g. SRA accession or BioSample id" + | Relation of string + ///Custom Attributes Used in the SOFT file + |AdditionalAttribute of string*string + + module internal Lexing = + + open Specifications + + [] + module Platform = + + let (|Accession|_|) ((k:string),(v:string)) = + if k="^PLATFORM" then + Some(SOFTPlatformSpecifications.Accession v) + else + None + let (|Title|_|) ((k:string),(v:string)) = + if k="!Platform_title" then + Some(SOFTPlatformSpecifications.Title v) + else + None + let (|Distribution|_|) ((k:string),(v:string)) = + if k="!Platform_distribution" then + Some(SOFTPlatformSpecifications.Distribution v) + else + None + let (|Technology|_|) ((k:string),(v:string)) = + if k="!Platform_technology" then + Some(SOFTPlatformSpecifications.Technology v) + else + None + let (|Organism|_|) ((k:string),(v:string)) = + if k="!Platform_organism" then + Some(SOFTPlatformSpecifications.Organism v) + else + None + let (|Manufacturer|_|) ((k:string),(v:string)) = + if k="!Platform_manufacturer" then + Some(SOFTPlatformSpecifications.Manufacturer v) + else + None + let (|ManufactureProtocol|_|) ((k:string),(v:string)) = + if k="!Platform_manufacture_protocol" then + Some(SOFTPlatformSpecifications.ManufactureProtocol v) + else + None + let (|CatalogNumber|_|) ((k:string),(v:string)) = + if k="!Platform_catalog_number" then + Some(SOFTPlatformSpecifications.CatalogNumber v) + else + None + let (|WebLink|_|) ((k:string),(v:string)) = + if k="!Platform_web_link" then + Some(SOFTPlatformSpecifications.WebLink v) + else + None + let (|Support|_|) ((k:string),(v:string)) = + if k="!Platform_support" then + Some(SOFTPlatformSpecifications.Support v) + else + None + let (|Coating|_|) ((k:string),(v:string)) = + if k="!Platform_coating" then + Some(SOFTPlatformSpecifications.Coating v) + else + None + let (|Description|_|) ((k:string),(v:string)) = + if k="!Platform_description" then + Some(SOFTPlatformSpecifications.Description v) + else + None + let (|Contributor|_|) ((k:string),(v:string)) = + if k="!Platform_contributor" then + Some(SOFTPlatformSpecifications.Contributor v) + else + None + let (|PubmedId|_|) ((k:string),(v:string)) = + if k="!Platform_pubmed_id" then + Some(SOFTPlatformSpecifications.PubmedId v) + else + None + let (|GeoAccession|_|) ((k:string),(v:string)) = + if k="!Platform_geo_accession" then + Some(SOFTPlatformSpecifications.GeoAccession v) + else + None + let (|TableBegin|_|) ((k:string),(v:string)) = + if k="!Platform_table_begin" then + Some(SOFTPlatformSpecifications.TableBegin v) + else + None + let (|TableEnd|_|) ((k:string),(v:string)) = + if k="!Platform_table_end" then + Some(SOFTPlatformSpecifications.TableEnd v) + else + None + [] + module Series = + let (|Accession|_|) ((k:string),(v:string)) = + if k="^SERIES" then + Some(SOFTSeriesSpecifications.Accession v) + else + None + let (|Title|_|) ((k:string),(v:string)) = + if k="!Series_title" then + Some(SOFTSeriesSpecifications.Title v) + else + None + let (|Summary|_|) ((k:string),(v:string)) = + if k="!Series_summary" then + Some(SOFTSeriesSpecifications.Summary v) + else + None + let (|OverallDesign|_|) ((k:string),(v:string)) = + if k="!Series_overall_design" then + Some(SOFTSeriesSpecifications.OverallDesign v) + else + None + let (|PubmedId|_|) ((k:string),(v:string)) = + if k="!Series_pubmed_id" then + Some(SOFTSeriesSpecifications.PubmedId v) + else + None + let (|WebLink|_|) ((k:string),(v:string)) = + if k="!Series_web_link" then + Some(SOFTSeriesSpecifications.WebLink v) + else + None + let (|Contributor|_|) ((k:string),(v:string)) = + if k="!Series_contributor" then + Some(SOFTSeriesSpecifications.Contributor v) + else + None + let (|Variable|_|) ((k:string),(v:string)) = + + if k.Contains("!Series_variable_") then + let index = + k + .Replace("!Series_variable_","") + .Replace("!Series_variable_[n]","") + |> int + Some (SOFTSeriesSpecifications.Variable(index,v)) + + else + None + let (|VariableDescription|_|) ((k:string),(v:string)) = + + if k.Contains("!Series_variable_description_") then + let index = + k + .Replace("!Series_variable_description_","") + .Replace("!Series_variable_description_[n]","") + |> int + Some (SOFTSeriesSpecifications.VariableDescription(index,v)) + + else + None + let (|VariableSampleList|_|) ((k:string),(v:string)) = + + if k.Contains("!Series_variable_sample_list_") then + let index = + k + .Replace("!Series_variable_sample_list_","") + .Replace("!Series_variable_sample_list_[n]","") + |> int + let keyList = + v.Split(',') |> Array.toList + Some (SOFTSeriesSpecifications.VariableSampleList(index,keyList)) + + else + None + let (|Repeats|_|) ((k:string),(v:string)) = + + if k.Contains("!Series_repeats_") then + let index = + k + .Replace("!Series_repeats_","") + .Replace("!Series_repeats_[n]","") + |> int + Some (SOFTSeriesSpecifications.Repeats(index,v)) + + else + None + let (|RepeatsSampleList|_|) ((k:string),(v:string)) = + + if k.Contains("!Series_repeats_sample_list_") then + let index = + k + .Replace("!Series_repeats_sample_list_","") + .Replace("!Series_repeats_sample_list_[n]","") + |> int + let keyList = + v.Split(',') |> Array.toList + Some (SOFTSeriesSpecifications.RepeatsSampleList(index,keyList)) + + else + None + let (|SampleId|_|) ((k:string),(v:string)) = + if k="!Series_sample_id" then + Some(SOFTSeriesSpecifications.SampleId v) + else + None + let (|GeoAccession|_|) ((k:string),(v:string)) = + if k="!Series_geo_accession" then + Some(SOFTSeriesSpecifications.GeoAccession v) + else + None + let (|Type|_|) ((k:string),(v:string)) = + if k="!Series_type" then + Some(SOFTSeriesSpecifications.Type v) + else + None + let (|SubmissionDate|_|) ((k:string),(v:string)) = + if k="!Series_submission_date" then + Some(SOFTSeriesSpecifications.SubmissionDate v) + else + None + [] + module Sample = + let (|Accession|_|) ((k:string),(v:string)) = + if k="^SAMPLE" then + Some(SOFTSampleSpecifications.Accession v) + else + None + let (|Title|_|) ((k:string),(v:string)) = + if k="!Sample_title" then + Some(SOFTSampleSpecifications.Title v) + else + None + let (|SupplementaryFile|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_supplementary_file_") then + let index = + k + .Replace("!Sample_supplementary_file_","") + .Replace("!Sample_supplementary_file_[n]","") + |> int + Some (SOFTSampleSpecifications.SupplementaryFile(index,v)) + + else + None + let (|Table|_|) ((k:string),(v:string)) = + if k="!Sample_table" then + Some(SOFTSampleSpecifications.Table v) + else + None + let (|SourceName|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_source_name_") then + let index = + k + .Replace("!Sample_source_name_ch","") + .Replace("!Sample_source_name_","") + |> int + Some (SOFTSampleSpecifications.SourceName(index,v)) + + else + None + let (|Organism|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_organism_") then + let index = + k + .Replace("!Sample_organism_ch","") + .Replace("!Sample_organism_","") + |> int + Some (SOFTSampleSpecifications.Organism(index,v)) + + else + None + let (|Characteristics|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_characteristics_") then + let index = + k + .Replace("!Sample_characteristics_ch","") + .Replace("!Sample_characteristics_","") + |> int + Some (SOFTSampleSpecifications.Characteristics(index,v)) + + else + None + let (|BiomaterialProvider|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_biomaterial_provider_") then + let index = + k + .Replace("!Sample_biomaterial_provider_ch","") + .Replace("!Sample_biomaterial_provider_","") + |> int + Some (SOFTSampleSpecifications.BiomaterialProvider(index,v)) + + else + None + let (|TreatmentProtocol|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_treatment_protocol_") then + let index = + k + .Replace("!Sample_treatment_protocol_ch","") + .Replace("!Sample_treatment_protocol_","") + |> int + Some (SOFTSampleSpecifications.TreatmentProtocol(index,v)) + + else + None + let (|GrowthProtocol|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_growth_protocol_") then + let index = + k + .Replace("!Sample_growth_protocol_ch","") + .Replace("!Sample_growth_protocol_","") + |> int + Some (SOFTSampleSpecifications.GrowthProtocol(index,v)) + + else + None + let (|Molecule|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_molecule_") then + let index = + k + .Replace("!Sample_molecule_ch","") + .Replace("!Sample_molecule_","") + |> int + Some (SOFTSampleSpecifications.Molecule(index,v)) + + else + None + let (|ExtractProtocol|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_extract_protocol_") then + let index = + k + .Replace("!Sample_extract_protocol_ch","") + .Replace("!Sample_extract_protocol_","") + |> int + Some (SOFTSampleSpecifications.ExtractProtocol(index,v)) + + else + None + let (|Label|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_label_") then + let index = + k + .Replace("!Sample_label_ch","") + .Replace("!Sample_label_","") + |> int + Some (SOFTSampleSpecifications.Label(index,v)) + + else + None + let (|LabelProtocol|_|) ((k:string),(v:string)) = + + if k.Contains("!Sample_label_protocol_") then + let index = + k + .Replace("!Sample_label_protocol_ch","") + .Replace("!Sample_label_protocol_","") + |> int + Some (SOFTSampleSpecifications.LabelProtocol(index,v)) + + else + None + let (|HybProtocol|_|) ((k:string),(v:string)) = + if k="!Sample_hyb_protocol" then + Some(SOFTSampleSpecifications.HybProtocol v) + else + None + let (|ScanProtocol|_|) ((k:string),(v:string)) = + if k="!Sample_scan_protocol" then + Some(SOFTSampleSpecifications.ScanProtocol v) + else + None + let (|DataProcessing|_|) ((k:string),(v:string)) = + if k="!Sample_data_processing" then + Some(SOFTSampleSpecifications.DataProcessing v) + else + None + let (|Description|_|) ((k:string),(v:string)) = + if k="!Sample_description" then + Some(SOFTSampleSpecifications.Description v) + else + None + let (|PlatformId|_|) ((k:string),(v:string)) = + if k="!Sample_platform_id" then + Some(SOFTSampleSpecifications.PlatformId v) + else + None + let (|GeoAccession|_|) ((k:string),(v:string)) = + if k="!Sample_geo_accession" then + Some(SOFTSampleSpecifications.GeoAccession v) + else + None + let (|Anchor|_|) ((k:string),(v:string)) = + if k="!Sample_anchor" then + Some(SOFTSampleSpecifications.Anchor v) + else + None + let (|Type|_|) ((k:string),(v:string)) = + if k="!Sample_type" then + Some(SOFTSampleSpecifications.Type v) + else + None + let (|TagCount|_|) ((k:string),(v:string)) = + if k="!Sample_tag_count" then + Some(SOFTSampleSpecifications.TagCount v) + else + None + let (|TagLength|_|) ((k:string),(v:string)) = + if k="!Sample_tag_length" then + Some(SOFTSampleSpecifications.TagLength v) + else + None + let (|TableBegin|_|) ((k:string),(v:string)) = + if k="!Sample_table_begin" then + Some(SOFTSampleSpecifications.TableBegin v) + else + None + let (|TableEnd|_|) ((k:string),(v:string)) = + if k="!Sample_table_end" then + Some(SOFTSampleSpecifications.TableEnd v) + else + None + let (|Relation|_|) ((k:string),(v:string)) = + if k="!Sample_relation" then + Some(SOFTSampleSpecifications.Relation v) + else + None + + open Generated + open Generated.Specifications + + let listMustContainExactlyOne failmessage l = + match List.tryExactlyOne l with + | Some v -> v + | _ -> failwith failmessage + + let listMustContainOneOrMore failmessage (l: 'a list) = + if l.Length >= 1 then + l + else failwith failmessage + + type SampleRecord = { + Accession : string; + Title : string; + Type : string; + PlatformId : string; + SupplementaryFile : (int * string) list; + Table : (string) list; + SourceName : (int * string) list; + Organism : (int * string) list; + Characteristics : (int * string) list; + BiomaterialProvider : (int * string) list; + TreatmentProtocol : (int * string) list; + GrowthProtocol : (int * string) list; + Molecule : (int * string) list; + ExtractProtocol : (int * string) list; + Label : (int * string) list; + LabelProtocol : (int * string) list; + HybProtocol : (string) list; + ScanProtocol : (string) list; + DataProcessing : (string) list; + Description : (string) list; + GeoAccession : (string) list; + Anchor : (string) list; + TagCount : (string) list; + TagLength : (string) list; + Relation : (string) list; + SpecificationTokens : SOFTSampleSpecifications list + } + let private createSampleRecord accession (specList:SOFTSampleSpecifications list) = + { + + Accession = accession + + Title = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Title v -> Some v + | _ -> None + ) + |> listMustContainExactlyOne "Title must be exactly one value" + + SupplementaryFile = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.SupplementaryFile (k,v) -> Some (k,v) + | _ -> None + ) + Table = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Table v -> Some v + | _ -> None + ) + + SourceName = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.SourceName (k,v) -> Some (k,v) + | _ -> None + ) + Organism = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Organism (k,v) -> Some (k,v) + | _ -> None + ) + + |> listMustContainOneOrMore "Organism must be one or more values" - open System.Collections.Generic - open FSharpAux.IO - - //TODO : Full parsing, get rid of the "not interesting" cases and just parse everything. Remodel parser to return these types instead of string maps and such. - - type SOFTSeriesSpecifications = - ///Provide an identifier for this entity. This identifier is used only as an internal reference within a given file. The identifier will not appear on final GEO records. - | SERIES of string - ///Provide a unique title that describes the overall study. - | Series_title of string - ///Summarize the goals and objectives of this study. The abstract from the associated publication may be suitable. You can include as much text as you need to thoroughly describe the study. - | Series_summary of string - ///"Provide a description of the experimental design. Indicate how many Samples are analyzed, if replicates are included, are there control and/or reference Samples, dye-swaps, etc." - | Series_overall_design of string - ///"Specify a valid PubMed identifier (PMID) that references a published article describing this study. Most commonly, this information is not available at the time of submission - it can be added later once the data are published." - | Series_pubmed_id of string - ///Specify a Web link that directs users to supplementary information about the study. Please restrict to Web sites that you know are stable. - | Series_web_link of string - ///"List all people associated with this study. - | Series_contributor of string - ///"Indicate the variable type(s) investigated in this study, e.g. !Series_variable_1 = age�!Series_variable_2 = age�"NOTE - this information is optional and does not appear in Series records or downloads, but will be used to assemble corresponding GEO DataSet records." - | Series_variable of int * string - ///"Describe each variable, e.g.,"!Series_variable_description_1 = 2 months !Series_variable_description_2 = 12 months"NOTE - this information is optional and does not appear in Series records or downloads, but will be used to assemble corresponding GEO DataSet records." - | Series_variable_description of int * string - ///"List which Samples belong to each group, e.g.,""!Series_variable_sample_list_1 = samA, samB�""!Series_variable_sample_list_2 = samC, samD�""NOTE - this information is optional and does not appear in Series records or downloads, but will be used to assemble corresponding GEO DataSet records." - | Series_variable_sample_list of int * string - ///"Indicate the repeat type(s), e.g.,"!Series_repeats_1 = biological replicate�!Series_repeats_2 = biological replicate"NOTE - this information is optional and does not appear in Series records or downloads, but will be used to assemble corresponding GEO DataSet records." - | Series_repeats of int * string - ///"List which Samples belong to each group, e.g.,�""!Series_repeats_sample_list_1 = samA, samB""!Series_repeats_sample_list_2 = samC, samD""NOTE - this information is optional and does not appear in Series - ///records or downloads, but will be used to assemble corresponding GEO - ////DataSet records." - | Series_repeats_sample_list of int * string - ///"Reference the Samples that make up this experiment. Reference the Sample accession numbers (GSMxxx) if the Samples already exists in GEO, or reference the ^Sample identifiers if they are being submitted - ///in the same file." - | Series_sample_id of string - ///Only use for performing�updates�to existing GEO records. - | Series_geo_accession of string - - - - type SOFTSampleSpecifications = - ///Provide an identifier for this entity. This identifier is used only as an internal reference within a given file. The identifier will not appear on final GEO records. - | SAMPLE of string - ///"Provide a unique title that describes this Sample. We suggest that you use the system [biomaterial]-[condition(s)]-[replicate number], e.g., Muscle_exercised_60min_rep2." - | Sample_title of string - ///"Examples of supplementary file types include original Affymetrix - ///CEL and EXP files, GenePix GPR files, and TIFF image files. Supplementary files should be zipped or tarred together with the SOFT file at - ///time of submission (do not include any sub-directories or sub-folders in your zip/tar archive). Provision of supplementary raw data files - ///facilitates the unambiguous interpretation of data and potential verification of conclusions as set forth in the MIAME guidelines." - | Sample_supplementary_file of string - ///- Affymetrix CHP file name:"If your processed data are CHP files, - ///you can reference the CHP file name in this field. If your manuscript discusses data processed by RMA or another algorithm, we recommend providing those values in the�table section. There is no need to specify the !Sample_platform_id when CHP files are supplied. All external - ///files should be zipped or tarred together with the SOFT file at time - ///of submission."- Tab-delimited table file name: "If it is convenient - ///for you to generate, you can reference the name of an external tab-delimited table file (see format) in this field, rather than include the table in the !Sample_table_begin section. All external files should be zipped or tarred together with the SOFT file at time of submission." - | Sample_table of string - ///"Briefly identify the biological material and the experimental variable(s), e.g., vastus lateralis muscle, exercised, 60 min." - | Sample_source_name_ch of int * string - ///Identify the organism(s) from which the biological material was derived. - | Sample_organism_ch of int * string - ///"Describe all available characteristics of the biological source, - ///including factors not necessarily under investigation. Provide in 'Tag: Value' format, where 'Tag' is a type of characteristic (e.g. ""gender"", ""strain"", ""tissue"", ""developmental stage"", ""tumor stage"", etc), and 'Value' is the value for each tag (e.g. ""female"", ""129SV"", ""brain"", ""embryo"", etc). Include as many characteristics - ///fields as necessary to thoroughly describe your Samples." - | Sample_characteristics_ch of int * string - ///"Specify the name of the company, laboratory or person that provided the biological material." - | Sample_biomaterial_provider_ch of int * string - ///Describe any treatments applied to the biological material prior to extract preparation. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission. - | Sample_treatment_protocol_ch of int * string - ///Describe the conditions that were used to grow or maintain organisms or cells prior to extract preparation. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission. - | Sample_growth_protocol_ch of int * string - ///Specify the type of molecule that was extracted from the biological material. - | Sample_molecule_ch of int * string - ///Describe the protocol used to isolate the extract material. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission. - | Sample_extract_protocol_ch of int * string - ///"Specify the compound used to label the extract e.g., biotin, Cy3, Cy5, 33P." - | Sample_label_ch of int * string - ///Describe the protocol used to label the extract. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission. - | Sample_label_protocol_ch of int * string - ///"Describe the protocols used for hybridization, blocking and washing, and any post-processing steps such as staining. You can include as much text as you need to thoroughly describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission." - | Sample_hyb_protocol of string - ///"Describe the scanning and image acquisition protocols, hardware, - ///and software. You can include as much text as you need to thoroughly - ///describe the protocol; it is strongly recommended that complete protocol descriptions are provided within your submission." - | Sample_scan_protocol of string - ///"Provide details of how data in the VALUE column of your table were generated and calculated, i.e., normalization method, data selection procedures and parameters, transformation algorithm (e.g., MAS5.0), and scaling parameters. You can include as much text as you need to - ///thoroughly describe the processing procedures." - | Sample_data_processing of string - ///"Include any additional information not provided in the other fields, or paste in broad descriptions that cannot be easily dissected into the other fields." - | Sample_description of string - ///"Reference the Platform upon which this hybridization was performed. Reference the Platform accession number (GPLxxx) if the Platform already exists in GEO, or reference the ^Platform identifier if the Platform record is being batch submitted within the same SOFT file. To - ///identify the accession number of an existing commercial Platform in GEO, use the�FIND PLATFORM�tool." - | Sample_platform_id of string - ///Only use for performing�updates�to existing GEO records. - | Sample_geo_accession of string - ///Use for SAGE submissions only. - | Sample_anchor of string - ///Use for SAGE submissions only. - | Sample_type of string - ///Use for SAGE submissions only. - | Sample_tag_count of string - ///Use for SAGE submissions only. - | Sample_tag_length of string - ///Indicates the start of the data table. - | Sample_table_begin of string - ///Indicates the end of the data table. - | Sample_table_end of string - - ///Type Representation of SOFT `^Platforms` Entities - type PlatformInfos = { - Accession: string - Name: string - Organism:string + Characteristics = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Characteristics (k,v) -> Some (k,v) + | _ -> None + ) + |> listMustContainOneOrMore "Characteristics must be one or more values" + + BiomaterialProvider = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.BiomaterialProvider (k,v) -> Some (k,v) + | _ -> None + ) + TreatmentProtocol = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.TreatmentProtocol (k,v) -> Some (k,v) + | _ -> None + ) + GrowthProtocol = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.GrowthProtocol (k,v) -> Some (k,v) + | _ -> None + ) + Molecule = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Molecule (k,v) -> Some (k,v) + | _ -> None + ) + ExtractProtocol = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.ExtractProtocol (k,v) -> Some (k,v) + | _ -> None + ) + + |> listMustContainOneOrMore "ExtractProtocol must be one or more values" + + Label = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Label (k,v) -> Some (k,v) + | _ -> None + ) + LabelProtocol = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.LabelProtocol (k,v) -> Some (k,v) + | _ -> None + ) + + + HybProtocol = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.HybProtocol v -> Some v + | _ -> None + ) + + + ScanProtocol = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.ScanProtocol v -> Some v + | _ -> None + ) + DataProcessing = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.DataProcessing v -> Some v + | _ -> None + ) + Description = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Description v -> Some v + | _ -> None + ) + PlatformId = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.PlatformId v -> Some v + | _ -> None + ) + + |> listMustContainExactlyOne "PlatformId must be exactly one value" + GeoAccession = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.GeoAccession v -> Some v + | _ -> None + ) + Anchor = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Anchor v -> Some v + | _ -> None + ) + Type = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Type v -> Some v + | _ -> None + ) + |> listMustContainExactlyOne "Type must be exactly one value" + + TagCount = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.TagCount v -> Some v + | _ -> None + ) + + TagLength = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.TagLength v -> Some v + | _ -> None + ) + + Relation = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSampleSpecifications.Relation v -> Some v + | _ -> None + ) + + SpecificationTokens = specList } - let private createPlatformInfos acc name org = {Accession = acc; Name = name; Organism= org} - - type SampleInfos = { - Accession: string - Title : string - Channels: int - Organism: Map - Source:Map - Characteristics: Map - Molecules: Map - SRAAccession: string + type PlatformRecord = { + Accession : string; + Title : string; + Distribution : string; + Technology : string; + Organism : string list; + Manufacturer : string list; + ManufactureProtocol : string list; + CatalogNumber : string list; + WebLink : string list; + Support : string list; + Coating : string list; + Description : string list; + Contributor : string list; + PubmedId : string list; + GeoAccession : string list; + AdditionalAttributes : Map + SpecificationTokens : SOFTPlatformSpecifications list } + let private createPlatformRecord accession (specList: SOFTPlatformSpecifications list)= + { + Accession = accession + Title = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.Title v -> Some v + | _ -> None + ) + |> listMustContainExactlyOne "Title must be exactly one value" + + Distribution = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.Distribution v -> Some v + | _ -> None + ) + |> listMustContainExactlyOne "Distribution must be exactly one value" + + Technology = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.Technology v -> Some v + | _ -> None + ) + |> listMustContainExactlyOne "Technology must be exactly one value" + + Organism = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.Organism v -> Some v + | _ -> None + ) + |> listMustContainOneOrMore "Organism must be one or more values" + + Manufacturer = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.Manufacturer v -> Some v + | _ -> None + ) - let private createSampleInfos acc t ch org src char mol sra = + ManufactureProtocol = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.ManufactureProtocol v -> Some v + | _ -> None + ) + + CatalogNumber = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.CatalogNumber v -> Some v + | _ -> None + ) + WebLink = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.WebLink v -> Some v + | _ -> None + ) + Support = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.Support v -> Some v + | _ -> None + ) + Coating = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.Coating v -> Some v + | _ -> None + ) + Description = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.Description v -> Some v + | _ -> None + ) + Contributor = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.Contributor v -> Some v + | _ -> None + ) + PubmedId = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.PubmedId v -> Some v + | _ -> None + ) + GeoAccession = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.GeoAccession v -> Some v + | _ -> None + ) + AdditionalAttributes = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTPlatformSpecifications.AdditionalAttribute (k,v) -> Some (k,v) + | _ -> None + ) + |> Map.ofList + SpecificationTokens = specList + } + + type SeriesRecord = { + Accession : string; + Title : string; + Summary : (string) list; + OverallDesign : string list; + PubmedId : (string) list; + WebLink : (string) list; + Contributor : (string) list; + Variable : (int * string) list; + VariableDescription : (int * string) list; + VariableSampleList : (int * (string list)) list; + Repeats : (int * string) list; + RepeatsSampleList : (int * (string list)) list; + SampleId : (string) list; + GeoAccession : (string) list; + Type : (string) list; + SubmissionDate : (string) list; + SpecificationTokens : SOFTSeriesSpecifications list + } + let private createSeriesRecord accession (specList : SOFTSeriesSpecifications list) = { - Accession = acc - Title = t - Channels = ch - Organism = org - Source = src - Characteristics = char - Molecules = mol - SRAAccession = sra + + Accession =accession + + Title = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.Title v -> Some v + | _ -> None + ) + + |> listMustContainExactlyOne "Title must be exactly one value" + + + + Summary = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.Summary v -> Some v + | _ -> None + ) + + |> listMustContainOneOrMore "Summary must be one or more values" + + + + OverallDesign = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.OverallDesign v -> Some v + | _ -> None + ) + + + + + PubmedId = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.PubmedId v -> Some v + | _ -> None + ) + + + + WebLink = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.WebLink v -> Some v + | _ -> None + ) + + + + Contributor = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.Contributor v -> Some v + | _ -> None + ) + + + + Variable = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.Variable (k,v) -> Some (k,v) + | _ -> None + ) + + + + VariableDescription = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.VariableDescription (k,v) -> Some (k,v) + | _ -> None + ) + + + + VariableSampleList = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.VariableSampleList (k,v) -> Some (k,v) + | _ -> None + ) + + + + Repeats = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.Repeats (k,v) -> Some (k,v) + | _ -> None + ) + + + + RepeatsSampleList = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.RepeatsSampleList (k,v) -> Some (k,v) + | _ -> None + ) + + + + SampleId = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.SampleId v -> Some v + | _ -> None + ) + + |> listMustContainOneOrMore "SampleId must be one or more values" + + + + GeoAccession = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.GeoAccession v -> Some v + | _ -> None + ) + + + + Type = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.Type v -> Some v + | _ -> None + ) + + + + SubmissionDate = + specList + |> List.choose + (fun spec -> + match spec with + | SOFTSeriesSpecifications.SubmissionDate v -> Some v + | _ -> None + ) + + SpecificationTokens = specList + } + + [] + type GSE = { + SeriesMetadata : SeriesRecord + SampleMetadata : Map + PlatformMetadata : Map + } + + let private createGSE (seriesRecords: Map, sampleRecords: Map, platformRecords: Map) : GSE = + { + SeriesMetadata = + seriesRecords + |> Map.toList + |> List.exactlyOne + |> snd + + SampleMetadata = sampleRecords + PlatformMetadata = platformRecords } - type SeriesInfos = { - Accession : string - Title: string - Design: string - Type : string list - SampleIds: string list - Date: string - Publications: string list - Platform : Map - SampleAnnotations: Map + [] + type GPL = { + PlatformMetadata : PlatformRecord + SeriesMetadata : Map + SampleMetadata : Map } - let private createSeriesInfo acc t des typ sIds d pub pI sI = + let private createGPL (seriesRecords: Map, sampleRecords: Map, platformRecords: Map) : GPL = { - Accession = acc - Title = t - Design = des - Type = typ - SampleIds = sIds - Date = d - Publications = pub - Platform = pI - SampleAnnotations = sI + PlatformMetadata = + platformRecords + |> Map.toList + |> List.exactlyOne + |> snd + + SeriesMetadata = seriesRecords + SampleMetadata = sampleRecords + } - type SOFTToken = - |Entity of (string * string) - |Attribute of (string * string) - |DataTable - |Broken of string [] - - let private tokenizeSOFTLine (line: string) = - let token = - line.Split([|'='|]) - |> Array.map (fun s -> s.Trim()) - match token.Length with - | 1 -> DataTable - | 2 -> if token.[0].StartsWith("^") then - Entity (token.[0], token.[1]) - elif (token.[0].StartsWith("!")) then - Attribute (token.[0], token.[1]) - else - Broken token - | _ -> if token.[0].StartsWith("^") then - Entity (token.[0], token.[1..(token.Length-1)] |> String.concat "=") - elif (token.[0].StartsWith("!")) then - Attribute (token.[0], token.[1..(token.Length-1)] |> String.concat "=") - else - Broken token - let private reduceMaps (input: (string*string) list) = - input - |> List.groupBy (fun (k,v) -> k) - |> List.map (fun (k,v) -> k, v |> List.map (fun (k',v') -> v')) + module internal Tokenization = + type SOFTToken = + |Entity of (string * string) + |Attribute of (string * string) + |DataTable + |Broken of string [] - let private parseSample (token:SOFTToken) (en: IEnumerator) (accession: string) = - let rec loop (token:SOFTToken) (acc: string) (t : string) (ch: int) (org: (string*string) list) (src:(string*string) list) (char: (string*string) list) (mol: (string*string) list) (sra:string) = - if en.MoveNext() then - let nextToken = en.Current - match token,nextToken with - //gather sample infos - |Attribute (a,v),Attribute (nextA,nextV) -> match a with - | "!Sample_title" -> loop nextToken acc v ch org src char mol sra - | "!Sample_channel_count" -> loop nextToken acc t (int v) org src char mol sra - | a when a.Contains("!Sample_source_name_ch") -> loop nextToken acc t ch org ((a,v)::src) char mol sra - | a when a.Contains("!Sample_organism_ch") -> loop nextToken acc t ch ((a,v)::org) src char mol sra - | a when a.Contains("!Sample_characteristics_ch") -> loop nextToken acc t ch org src ((a,v)::char) mol sra - | a when a.Contains("!Sample_molecule_ch") -> loop nextToken acc t ch org src char ((a,v)::mol) sra - | "!Sample_relation" when (v.Contains("SRA")) -> loop nextToken acc t ch org src char mol (if v.Contains("SRA") then v else sra) - | _ -> loop nextToken acc t ch org src char mol sra - - //return finished sample when new entity starts - |Attribute (a,v),Entity (e,ev) -> match a with - | "!Sample_title" -> nextToken,acc,(createSampleInfos acc v ch (Map.ofList (reduceMaps org)) (Map.ofList (reduceMaps src)) (Map.ofList (reduceMaps char)) (Map.ofList (reduceMaps mol)) sra) - | "!Sample_channel_count" -> nextToken,acc,(createSampleInfos acc t (int v) (Map.ofList (reduceMaps org)) (Map.ofList (reduceMaps src)) (Map.ofList (reduceMaps char)) (Map.ofList (reduceMaps mol)) sra) - | a when a.Contains("!Sample_source_name_ch") -> nextToken,acc,(createSampleInfos acc t ch (Map.ofList (reduceMaps org)) (Map.ofList (reduceMaps ((a,v)::src))) (Map.ofList (reduceMaps char)) (Map.ofList (reduceMaps mol)) sra) - | a when a.Contains("!Sample_organism_ch") -> nextToken,acc,(createSampleInfos acc t ch (Map.ofList (reduceMaps ((a,v)::org))) (Map.ofList (reduceMaps src)) (Map.ofList (reduceMaps char)) (Map.ofList (reduceMaps mol)) sra) - | a when a.Contains("!Sample_characteristics_ch") -> nextToken,acc,(createSampleInfos acc t ch (Map.ofList (reduceMaps org)) (Map.ofList (reduceMaps src)) (Map.ofList (reduceMaps ((a,v)::char))) (Map.ofList (reduceMaps mol)) sra) - | a when a.Contains("!Sample_molecule_ch") -> nextToken,acc,(createSampleInfos acc t ch (Map.ofList (reduceMaps org)) (Map.ofList (reduceMaps src)) (Map.ofList (reduceMaps char)) (Map.ofList (reduceMaps ((a,v)::mol))) sra) - | "!Sample_relation" -> nextToken,acc,(createSampleInfos acc t ch (Map.ofList (reduceMaps org)) (Map.ofList (reduceMaps src)) (Map.ofList (reduceMaps char)) (Map.ofList (reduceMaps mol)) (if v.Contains("SRA") then v else sra)) - | _ -> nextToken,acc,(createSampleInfos acc t ch (Map.ofList (reduceMaps org)) (Map.ofList (reduceMaps src)) (Map.ofList (reduceMaps char)) (Map.ofList (reduceMaps mol)) sra) - //not interesting - |_ -> loop nextToken acc t ch org src char mol sra - else - token,acc,(createSampleInfos acc t ch (Map.ofList (reduceMaps org)) (Map.ofList (reduceMaps src)) (Map.ofList (reduceMaps char)) (Map.ofList (reduceMaps mol)) sra) - loop token accession "" -1 [] [] [] [] "" + let tokenizeSOFTLine (line: string) = + let token = + line.Split([|'='|]) + |> Array.map (fun s -> s.Trim()) + match token.Length with + | 1 -> DataTable + | 2 -> if token.[0].StartsWith("^") then + Entity (token.[0], token.[1]) + elif (token.[0].StartsWith("!")) then + Attribute (token.[0], token.[1]) + else + Broken token + | _ -> if token.[0].StartsWith("^") then + Entity (token.[0], token.[1..(token.Length-1)] |> String.concat "=") + elif (token.[0].StartsWith("!")) then + Attribute (token.[0], token.[1..(token.Length-1)] |> String.concat "=") + else + Broken token - let private parsePlatformInfos (token:SOFTToken) (en: IEnumerator) (accession: string) = - let rec loop (token:SOFTToken) acc name org = - if en.MoveNext() then - let nextToken = en.Current - match token,nextToken with - //gather platform infos - | Attribute (a,v),Attribute (nextA,nextV) -> match a with - | "!Platform_title" -> loop nextToken acc v org - | "!Platform_organism" -> loop nextToken acc name v - | _ -> loop nextToken acc name org - //return finished platform when new entity starts - | Attribute (a,v),Entity (e,ev) -> match a with - | "!Platform_title" -> token,acc,createPlatformInfos acc v org - | "!Platform_organism" -> token,acc,createPlatformInfos acc name org - | _ -> nextToken,acc,createPlatformInfos acc name org - //not interesting - | _ -> loop nextToken acc name org - else - token,acc,createPlatformInfos acc name org - loop token accession "" "" + module Parsing = - let private parseSOFT (soft: seq) = - let en = soft.GetEnumerator() + open Tokenization + open Generated.Lexing + open System.Collections.Generic - let rec loop (token: SOFTToken) (seriesAccession: string) (seriesTitle: string) (seriesDesign: string) (seriesType:string list) (seriesSamples:string list) (date: string) (publications: string list) (samples: (string*SampleInfos) list) (platform: (string*PlatformInfos) list) = + let private parseSampleEntity (token:SOFTToken) (en: IEnumerator) (accession: string) = + let rec loop (token:SOFTToken) (lexedSample:SOFTSampleSpecifications list) = + if en.MoveNext() then + let nextToken = en.Current + match token,nextToken with + //gather sample infos + |Attribute (a,v),Attribute (nextA,nextV) -> + let lexedValue = + match (a,v) with + | Sample.Accession lv -> lv + | Sample.Relation lv -> lv + | Sample.Title lv -> lv + | Sample.SupplementaryFile lv -> lv + | Sample.Table lv -> lv + | Sample.SourceName lv -> lv + | Sample.Organism lv -> lv + | Sample.Characteristics lv -> lv + | Sample.BiomaterialProvider lv -> lv + | Sample.TreatmentProtocol lv -> lv + | Sample.GrowthProtocol lv -> lv + | Sample.Molecule lv -> lv + | Sample.ExtractProtocol lv -> lv + | Sample.Label lv -> lv + | Sample.LabelProtocol lv -> lv + | Sample.HybProtocol lv -> lv + | Sample.ScanProtocol lv -> lv + | Sample.DataProcessing lv -> lv + | Sample.Description lv -> lv + | Sample.PlatformId lv -> lv + | Sample.Anchor lv -> lv + | Sample.Type lv -> lv + | Sample.TagCount lv -> lv + | Sample.TagLength lv -> lv + | _ -> SOFTSampleSpecifications.AdditionalAttribute (a,v) + + loop nextToken (lexedValue::lexedSample) + + //return finished sample when new entity starts + |Attribute (a,v),Entity (e,ev) -> + let lexedValue = + match (a,v) with + | Sample.Accession lv -> lv + | Sample.Relation lv -> lv + | Sample.Title lv -> lv + | Sample.SupplementaryFile lv -> lv + | Sample.Table lv -> lv + | Sample.SourceName lv -> lv + | Sample.Organism lv -> lv + | Sample.Characteristics lv -> lv + | Sample.BiomaterialProvider lv -> lv + | Sample.TreatmentProtocol lv -> lv + | Sample.GrowthProtocol lv -> lv + | Sample.Molecule lv -> lv + | Sample.ExtractProtocol lv -> lv + | Sample.Label lv -> lv + | Sample.LabelProtocol lv -> lv + | Sample.HybProtocol lv -> lv + | Sample.ScanProtocol lv -> lv + | Sample.DataProcessing lv -> lv + | Sample.Description lv -> lv + | Sample.PlatformId lv -> lv + | Sample.Anchor lv -> lv + | Sample.Type lv -> lv + | Sample.TagCount lv -> lv + | Sample.TagLength lv -> lv + | _ -> SOFTSampleSpecifications.AdditionalAttribute (a,v) + + nextToken , accession, createSampleRecord accession (lexedValue::lexedSample) + + |_ -> loop nextToken lexedSample + else + token,accession, createSampleRecord accession lexedSample + loop token [] - match token with - |Entity (e,v) -> - match e with - //gather Series Info - | "^SERIES" -> + let private parsePlatformEntity (token:SOFTToken) (en: IEnumerator) (accession: string) = + let rec loop (token:SOFTToken) (lexedPlatform:SOFTPlatformSpecifications list) = + if en.MoveNext() then + let nextToken = en.Current + match token,nextToken with + //gather platform infos + | Attribute (a,v),Attribute (nextA,nextV) -> + let lexedValue = + match (a,v) with + | Platform.Accession lv -> lv + | Platform.Title lv -> lv + | Platform.Distribution lv -> lv + | Platform.Technology lv -> lv + | Platform.Organism lv -> lv + | Platform.Manufacturer lv -> lv + | Platform.ManufactureProtocol lv -> lv + | Platform.CatalogNumber lv -> lv + | Platform.WebLink lv -> lv + | Platform.Support lv -> lv + | Platform.Coating lv -> lv + | Platform.Description lv -> lv + | Platform.Contributor lv -> lv + | Platform.PubmedId lv -> lv + | _ -> SOFTPlatformSpecifications.AdditionalAttribute (a,v) + + loop nextToken (lexedValue::lexedPlatform) + //return finished platform when new entity starts + | Attribute (a,v),Entity (e,ev) -> + let lexedValue = + match (a,v) with + | Platform.Accession lv -> lv + | Platform.Title lv -> lv + | Platform.Distribution lv -> lv + | Platform.Technology lv -> lv + | Platform.Organism lv -> lv + | Platform.Manufacturer lv -> lv + | Platform.ManufactureProtocol lv -> lv + | Platform.CatalogNumber lv -> lv + | Platform.WebLink lv -> lv + | Platform.Support lv -> lv + | Platform.Coating lv -> lv + | Platform.Description lv -> lv + | Platform.Contributor lv -> lv + | Platform.PubmedId lv -> lv + | _ -> SOFTPlatformSpecifications.AdditionalAttribute (a,v) + + nextToken,accession,createPlatformRecord accession (lexedValue::lexedPlatform) + //not interesting + | _ -> loop nextToken lexedPlatform + else + token,accession,createPlatformRecord accession lexedPlatform + loop token [] + + let private parseSeriesEntity (token:SOFTToken) (en: IEnumerator) (accession: string) = + let rec loop (token:SOFTToken) (lexedSeries:SOFTSeriesSpecifications list) = if en.MoveNext() then let nextToken = en.Current - loop nextToken (v) seriesTitle seriesDesign seriesType seriesSamples date publications samples platform + match token,nextToken with + //gather platform infos + | Attribute (a,v),Attribute (nextA,nextV) -> + let lexedValue = + match (a,v) with + | Series.Title lv -> lv + | Series.Summary lv -> lv + | Series.OverallDesign lv -> lv + | Series.Type lv -> lv + | Series.SubmissionDate lv -> lv + | Series.PubmedId lv -> lv + | Series.WebLink lv -> lv + | Series.Contributor lv -> lv + | Series.Variable lv -> lv + | Series.VariableDescription lv -> lv + | Series.VariableSampleList lv -> lv + | Series.Repeats lv -> lv + | Series.RepeatsSampleList lv -> lv + | Series.SampleId lv -> lv + | _ -> SOFTSeriesSpecifications.AdditionalAttribute (a,v) + + loop nextToken (lexedValue::lexedSeries) + //return finished platform when new entity starts + | Attribute (a,v),Entity (e,ev) -> + let lexedValue = + match (a,v) with + | Series.Title lv -> lv + | Series.Summary lv -> lv + | Series.OverallDesign lv -> lv + | Series.Type lv -> lv + | Series.SubmissionDate lv -> lv + | Series.PubmedId lv -> lv + | Series.WebLink lv -> lv + | Series.Contributor lv -> lv + | Series.Variable lv -> lv + | Series.VariableDescription lv -> lv + | Series.VariableSampleList lv -> lv + | Series.Repeats lv -> lv + | Series.RepeatsSampleList lv -> lv + | Series.SampleId lv -> lv + | _ -> SOFTSeriesSpecifications.AdditionalAttribute (a,v) + + nextToken,accession,createSeriesRecord accession (lexedValue::lexedSeries) + //not interesting + | _ -> loop nextToken lexedSeries else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - //call sample parser - | "^SAMPLE" -> //printfn "SAMPLE??? %s" v - let token', smplAcc, smpl = parseSample token en v - loop (token') seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications ((smplAcc,smpl)::samples) platform - //call platform parser - | "^PLATFORM" -> let token', pltfrmlAcc, pltfrm = parsePlatformInfos token en v - loop (token') seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications samples ((pltfrmlAcc,pltfrm)::platform) - //ignore unexpected/uninteresting entities - | _ -> + token,accession,createSeriesRecord accession lexedSeries + loop token [] + + let private parseSOFTEntities (soft: seq) : (Map)*(Map)*(Map) = + + let en = soft.GetEnumerator() + let rec loop (token: SOFTToken) (seriesRecords: (string*SeriesRecord) list) (sampleRecords: (string*SampleRecord) list) (platformRecords: (string*PlatformRecord) list) = + + match token with + |Entity (e,v) -> + match (e,v) with + //gather Series Info + | Series.Accession lv -> + let token', seriesAccession, seriesRecord = parseSeriesEntity token en v + loop (token') ((seriesAccession,seriesRecord)::seriesRecords) sampleRecords platformRecords + //call sample parser + | Sample.Accession lv -> //printfn "SAMPLE??? %s" v + let token', sampleAccession, sampleRecord = parseSampleEntity token en v + loop (token') seriesRecords ((sampleAccession,sampleRecord)::sampleRecords) platformRecords + //call platform parser + | Platform.Accession lv -> + let token', platformAccession, PlatformRecord = parsePlatformEntity token en v + loop (token') seriesRecords sampleRecords ((platformAccession,PlatformRecord)::platformRecords) + //ignore unexpected/uninteresting entities + | _ -> + if en.MoveNext() then + let nextToken = en.Current + loop nextToken seriesRecords sampleRecords platformRecords + else + (Map.ofList seriesRecords),(Map.ofList sampleRecords),( Map.ofList platformRecords) + //not interesting + |_ -> if en.MoveNext() then let nextToken = en.Current - loop nextToken seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications samples platform - else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - //Attributes are only found here when on series level or uninteresting - |Attribute (a,v) -> match a with - | "!Series_title" -> - if en.MoveNext() then - let nextToken = en.Current - loop nextToken seriesAccession (v) seriesDesign seriesType seriesSamples date publications samples platform - else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - | "!Series_submission_date" -> - if en.MoveNext() then - let nextToken = en.Current - loop nextToken seriesAccession seriesTitle seriesDesign seriesType seriesSamples (v) publications samples platform - else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - | "!Series_pubmed_id" | "!Series_web_link" -> - if en.MoveNext() then - let nextToken = en.Current - loop nextToken seriesAccession seriesTitle seriesDesign seriesType seriesSamples date ((sprintf "%s = %s" a v)::publications) samples platform - else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - | "!Series_overall_design" -> - if en.MoveNext() then - let nextToken = en.Current - loop nextToken seriesAccession seriesTitle v seriesType seriesSamples date publications samples platform - else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - | "!Series_type" -> - if en.MoveNext() then - let nextToken = en.Current - loop nextToken seriesAccession seriesTitle seriesDesign (v::seriesType) seriesSamples date publications samples platform - else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - | "!Series_sample_id" -> - if en.MoveNext() then - let nextToken = en.Current - loop nextToken seriesAccession seriesTitle seriesDesign seriesType (v::seriesSamples) date publications samples platform - else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - //attributes of uninteresting entities - | _ -> - if en.MoveNext() then - let nextToken = en.Current - loop nextToken seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications samples platform - else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - //not interesting - |_ -> - if en.MoveNext() then - let nextToken = en.Current - loop nextToken seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications samples platform - else - createSeriesInfo seriesAccession seriesTitle seriesDesign seriesType seriesSamples date publications (Map.ofList platform) ( Map.ofList samples) - - if en.MoveNext() then - loop en.Current "" "" "" [] [] "" [] [] [] - else failwith "empty input" - - ///Read SOFT SeriesInfo from a SOFT series file - let fromSeriesFile (path:string) = - Seq.fromFile path - |> Seq.map tokenizeSOFTLine - |> parseSOFT - - ///Read SOFT SeriesInfo from a string representing a SOFT Series file - let fromSeriesFileEnumerator (fileEnumerator:seq) = - fileEnumerator - |> Seq.map tokenizeSOFTLine - |> parseSOFT \ No newline at end of file + loop nextToken seriesRecords sampleRecords platformRecords + + else + (Map.ofList seriesRecords),(Map.ofList sampleRecords),( Map.ofList platformRecords) + + if en.MoveNext() then + loop en.Current [] [] [] + else failwith "empty input" + + + open FSharpAux.IO + + ///Read SOFT SeriesInfo from a SOFT series file + let fromSeriesFile (path:string) = + Seq.fromFile path + |> Seq.map Tokenization.tokenizeSOFTLine + |> parseSOFTEntities + |> createGSE + + ///Read SOFT SeriesInfo from a string representing a SOFT Series file + let fromSeriesFileEnumerator (fileEnumerator:seq) = + fileEnumerator + |> Seq.map Tokenization.tokenizeSOFTLine + |> parseSOFTEntities + |> createGSE + + ///Read SOFT SeriesInfo from a SOFT series file + let fromPlatformFile (path:string) = + Seq.fromFile path + |> Seq.map Tokenization.tokenizeSOFTLine + |> parseSOFTEntities + |> createGPL + + ///Read SOFT SeriesInfo from a string representing a SOFT Series file + let fromPlatformFileEnumerator (fileEnumerator:seq) = + fileEnumerator + |> Seq.map Tokenization.tokenizeSOFTLine + |> parseSOFTEntities + |> createGPL From eb389a908e7cee66f01616e62ef65df20fc88c6c Mon Sep 17 00:00:00 2001 From: kMutagene Date: Wed, 26 Feb 2020 18:41:40 +0100 Subject: [PATCH 11/13] Improve module namespace for SOFT add convenience functions --- src/BioFSharp.IO/SOFT.fs | 175 ++++++++++++++++++++++++++------------- 1 file changed, 116 insertions(+), 59 deletions(-) diff --git a/src/BioFSharp.IO/SOFT.fs b/src/BioFSharp.IO/SOFT.fs index 59205996..38346d62 100644 --- a/src/BioFSharp.IO/SOFT.fs +++ b/src/BioFSharp.IO/SOFT.fs @@ -570,12 +570,12 @@ module SOFT = open Generated open Generated.Specifications - let listMustContainExactlyOne failmessage l = + let private listMustContainExactlyOne failmessage l = match List.tryExactlyOne l with | Some v -> v | _ -> failwith failmessage - let listMustContainOneOrMore failmessage (l: 'a list) = + let private listMustContainOneOrMore failmessage (l: 'a list) = if l.Length >= 1 then l else failwith failmessage @@ -1183,46 +1183,6 @@ module SOFT = SpecificationTokens = specList } - [] - type GSE = { - SeriesMetadata : SeriesRecord - SampleMetadata : Map - PlatformMetadata : Map - } - - let private createGSE (seriesRecords: Map, sampleRecords: Map, platformRecords: Map) : GSE = - { - SeriesMetadata = - seriesRecords - |> Map.toList - |> List.exactlyOne - |> snd - - SampleMetadata = sampleRecords - PlatformMetadata = platformRecords - } - - [] - type GPL = { - PlatformMetadata : PlatformRecord - SeriesMetadata : Map - SampleMetadata : Map - } - - let private createGPL (seriesRecords: Map, sampleRecords: Map, platformRecords: Map) : GPL = - { - PlatformMetadata = - platformRecords - |> Map.toList - |> List.exactlyOne - |> snd - - SeriesMetadata = seriesRecords - SampleMetadata = sampleRecords - - } - - module internal Tokenization = type SOFTToken = @@ -1250,13 +1210,13 @@ module SOFT = else Broken token - module Parsing = + module internal Parsing = open Tokenization open Generated.Lexing open System.Collections.Generic - let private parseSampleEntity (token:SOFTToken) (en: IEnumerator) (accession: string) = + let parseSampleEntity (token:SOFTToken) (en: IEnumerator) (accession: string) = let rec loop (token:SOFTToken) (lexedSample:SOFTSampleSpecifications list) = if en.MoveNext() then let nextToken = en.Current @@ -1330,7 +1290,7 @@ module SOFT = token,accession, createSampleRecord accession lexedSample loop token [] - let private parsePlatformEntity (token:SOFTToken) (en: IEnumerator) (accession: string) = + let parsePlatformEntity (token:SOFTToken) (en: IEnumerator) (accession: string) = let rec loop (token:SOFTToken) (lexedPlatform:SOFTPlatformSpecifications list) = if en.MoveNext() then let nextToken = en.Current @@ -1383,7 +1343,7 @@ module SOFT = token,accession,createPlatformRecord accession lexedPlatform loop token [] - let private parseSeriesEntity (token:SOFTToken) (en: IEnumerator) (accession: string) = + let parseSeriesEntity (token:SOFTToken) (en: IEnumerator) (accession: string) = let rec loop (token:SOFTToken) (lexedSeries:SOFTSeriesSpecifications list) = if en.MoveNext() then let nextToken = en.Current @@ -1436,7 +1396,7 @@ module SOFT = token,accession,createSeriesRecord accession lexedSeries loop token [] - let private parseSOFTEntities (soft: seq) : (Map)*(Map)*(Map) = + let parseSOFTEntities (soft: seq) : (Map)*(Map)*(Map) = let en = soft.GetEnumerator() let rec loop (token: SOFTToken) (seriesRecords: (string*SeriesRecord) list) (sampleRecords: (string*SampleRecord) list) (platformRecords: (string*PlatformRecord) list) = @@ -1476,33 +1436,130 @@ module SOFT = loop en.Current [] [] [] else failwith "empty input" + [] + module Series = open FSharpAux.IO - ///Read SOFT SeriesInfo from a SOFT series file - let fromSeriesFile (path:string) = + type GSE = { + SeriesMetadata : SeriesRecord + SampleMetadata : Map + PlatformMetadata : Map + } + + let private createGSE (seriesRecords: Map, sampleRecords: Map, platformRecords: Map) : GSE = + { + SeriesMetadata = + seriesRecords + |> Map.toList + |> List.exactlyOne + |> snd + + SampleMetadata = sampleRecords + PlatformMetadata = platformRecords + } + + ///Read GEO series metadata and associated sample/platform metadata from a SOFT formatted series file (GPLXXXXX_family.soft) + let fromFile (path:string) = Seq.fromFile path |> Seq.map Tokenization.tokenizeSOFTLine - |> parseSOFTEntities + |> Parsing.parseSOFTEntities |> createGSE - ///Read SOFT SeriesInfo from a string representing a SOFT Series file - let fromSeriesFileEnumerator (fileEnumerator:seq) = + ///Read GEO series metadata and associated sample/platform metadata from a sequence of strings representing a SOFT formatted series + let fromFileEnumerator (fileEnumerator:seq) = fileEnumerator |> Seq.map Tokenization.tokenizeSOFTLine - |> parseSOFTEntities + |> Parsing.parseSOFTEntities |> createGSE - ///Read SOFT SeriesInfo from a SOFT series file - let fromPlatformFile (path:string) = + ///returns platform metadata associated with the input series GSE representation + let getAssociatedPlatforms (gse:GSE) = + gse.PlatformMetadata + |> Map.toList + |> List.map snd + + ///returns platform accessions associated with the input series GSE representation + let getAssociatedPlatformAccessions (gse:GSE) = + gse.PlatformMetadata + |> Map.toList + |> List.map snd + |> List.map (fun record -> record.Accession) + + ///returns sample metadata associated with the input series GSE representation + let getAssociatedSamples (gse:GSE) = + gse.SampleMetadata + |> Map.toList + |> List.map fst + + ///returns sample accessions associated with the input series GSE representation + let getAssociatedSampleAccessions (gse:GSE) = + gse.SampleMetadata + |> Map.toList + |> List.map fst + + + [] + module Platform = + + open FSharpAux.IO + + type GPL = { + PlatformMetadata : PlatformRecord + SeriesMetadata : Map + SampleMetadata : Map + } + + let private createGPL (seriesRecords: Map, sampleRecords: Map, platformRecords: Map) : GPL = + { + PlatformMetadata = + platformRecords + |> Map.toList + |> List.exactlyOne + |> snd + + SeriesMetadata = seriesRecords + SampleMetadata = sampleRecords + + } + + //Readers + + ///Read GEO platform metadata and associated sample/series Metadata from a SOFT formatted platform file (GPLXXXXX_family.soft) + let fromFile (path:string) = Seq.fromFile path |> Seq.map Tokenization.tokenizeSOFTLine - |> parseSOFTEntities + |> Parsing.parseSOFTEntities |> createGPL - ///Read SOFT SeriesInfo from a string representing a SOFT Series file - let fromPlatformFileEnumerator (fileEnumerator:seq) = + ///Read GEO platform metadata and associated sample/series Metadata from a sequence of strings representing a SOFT formatted platform + let fromFileEnumerator (fileEnumerator:seq) = fileEnumerator |> Seq.map Tokenization.tokenizeSOFTLine - |> parseSOFTEntities + |> Parsing.parseSOFTEntities |> createGPL + + ///returns series metadata associated with the input platform GPL representation + let getAssociatedSeries (gpl:GPL) = + gpl.SeriesMetadata + |> Map.toList + |> List.map snd + + ///returns series accessions associated with the input platform GPL representation + let getAssociatedSeriesAccessions (gpl:GPL) = + gpl.SeriesMetadata + |> Map.toList + |> List.map snd + |> List.map (fun record -> record.Accession) + + ///returns sample metadata associated with the input platform GPL representation + let getAssociatedSamples (gpl:GPL) = + gpl.SampleMetadata + |> Map.toList + |> List.map fst + + ///returns sample accessions associated with the input platform GPL representation + let getAssociatedSampleAccessions (gpl:GPL) = + gpl.SampleMetadata + |> Map.toList + |> List.map fst From 615dcbfd30632d6fdf7a70edae9f5227ce250937 Mon Sep 17 00:00:00 2001 From: Kevin Schneider Date: Wed, 26 Feb 2020 21:11:54 +0100 Subject: [PATCH 12/13] Fix GPL/GSE pretty printer (whoopsie) --- src/BioFSharp.IO/FSIPrinters.fs | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/BioFSharp.IO/FSIPrinters.fs b/src/BioFSharp.IO/FSIPrinters.fs index 4634932c..ebb32a17 100644 --- a/src/BioFSharp.IO/FSIPrinters.fs +++ b/src/BioFSharp.IO/FSIPrinters.fs @@ -109,7 +109,7 @@ module FSIPrinters = |> Seq.iter (fun x -> printfn "%s" x) - let prettyPrintGSE (gse:GSE) = + let prettyPrintGSE (gse:SOFT.Series.GSE) = let formatSingleEntry rootIdent (s: string) = let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" @@ -187,7 +187,7 @@ Samples %s (gse.SeriesMetadata.Summary |> formatMultiEntries 4) (gse.SampleMetadata |> formatSamples 4) - let prettyPrintGPL (gpl:GPL) = + let prettyPrintGPL (gpl:SOFT.Platform.GPL) = let formatSingleEntry rootIdent (s: string) = let ident = [for i in [1 .. (4*rootIdent)] do yield " "] |> String.concat "" From 670f49dd384bce1b4c7053b99a88400e783ad555 Mon Sep 17 00:00:00 2001 From: Kevin Schneider Date: Wed, 26 Feb 2020 23:37:33 +0100 Subject: [PATCH 13/13] Bump version to 1.0.03 --- RELEASE_NOTES.md | 10 ++++++++++ docsrc/content/release-notes.md | 10 ++++++++++ src/BioFSharp.BioContainers/AssemblyInfo.fs | 8 ++++---- src/BioFSharp.BioDB/AssemblyInfo.fs | 8 ++++---- src/BioFSharp.IO/AssemblyInfo.fs | 8 ++++---- src/BioFSharp.ImgP/AssemblyInfo.fs | 8 ++++---- src/BioFSharp.ML/AssemblyInfo.fs | 8 ++++---- src/BioFSharp.Parallel/AssemblyInfo.fs | 8 ++++---- src/BioFSharp.Stats/AssemblyInfo.fs | 8 ++++---- src/BioFSharp.Vis/AssemblyInfo.fs | 8 ++++---- src/BioFSharp/AssemblyInfo.fs | 8 ++++---- 11 files changed, 56 insertions(+), 36 deletions(-) diff --git a/RELEASE_NOTES.md b/RELEASE_NOTES.md index ba9cd24d..14b86e6f 100644 --- a/RELEASE_NOTES.md +++ b/RELEASE_NOTES.md @@ -1,3 +1,13 @@ +#### 1.0.03 - Wednesday, February 26, 2020 + * **BioFSharp.Stats:** + * Massively improved SAILENT characterization speed for [preprocessing of large datasets](https://github.com/CSBiology/BioFSharp/pull/82) + * **BioFSharp.BioContainers:** + * [Improved DSL for Blast biocontainer API](https://github.com/CSBiology/BioFSharp/pull/83/commits/8e463f8cbc87797261520519b876b836d0b55bde) + * **BioFSharp.IO:** + * [Refactored SOFT Parser](https://github.com/CSBiology/BioFSharp/pull/83/commits/da0ba0cfa8807fad2032be66054125bd12f732c2) and [improved its namespace encapsulation](https://github.com/CSBiology/BioFSharp/pull/83/commits/eb389a908e7cee66f01616e62ef65df20fc88c6c). + * add prettyPrinters for the SOFT GSE/GPL type](https://github.com/CSBiology/BioFSharp/pull/83/commits/615dcbfd30632d6fdf7a70edae9f5227ce250937) + + #### 1.0.02 - Wednesday, February 19, 2020 * **BioFSharp.BioDB:** * Fix FaTool OData model URL diff --git a/docsrc/content/release-notes.md b/docsrc/content/release-notes.md index ba9cd24d..14b86e6f 100644 --- a/docsrc/content/release-notes.md +++ b/docsrc/content/release-notes.md @@ -1,3 +1,13 @@ +#### 1.0.03 - Wednesday, February 26, 2020 + * **BioFSharp.Stats:** + * Massively improved SAILENT characterization speed for [preprocessing of large datasets](https://github.com/CSBiology/BioFSharp/pull/82) + * **BioFSharp.BioContainers:** + * [Improved DSL for Blast biocontainer API](https://github.com/CSBiology/BioFSharp/pull/83/commits/8e463f8cbc87797261520519b876b836d0b55bde) + * **BioFSharp.IO:** + * [Refactored SOFT Parser](https://github.com/CSBiology/BioFSharp/pull/83/commits/da0ba0cfa8807fad2032be66054125bd12f732c2) and [improved its namespace encapsulation](https://github.com/CSBiology/BioFSharp/pull/83/commits/eb389a908e7cee66f01616e62ef65df20fc88c6c). + * add prettyPrinters for the SOFT GSE/GPL type](https://github.com/CSBiology/BioFSharp/pull/83/commits/615dcbfd30632d6fdf7a70edae9f5227ce250937) + + #### 1.0.02 - Wednesday, February 19, 2020 * **BioFSharp.BioDB:** * Fix FaTool OData model URL diff --git a/src/BioFSharp.BioContainers/AssemblyInfo.fs b/src/BioFSharp.BioContainers/AssemblyInfo.fs index 4632ce9e..4b6309de 100644 --- a/src/BioFSharp.BioContainers/AssemblyInfo.fs +++ b/src/BioFSharp.BioContainers/AssemblyInfo.fs @@ -5,8 +5,8 @@ open System.Reflection [] [] [")>] -[] -[] +[] +[] [] do () @@ -14,6 +14,6 @@ module internal AssemblyVersionInformation = let [] AssemblyTitle = "BioFSharp.BioContainers" let [] AssemblyProduct = "BioFSharp" let [] AssemblyDescription = "An open source bioinformatics toolbox written in F#. " - let [] AssemblyVersion = "1.0.02" - let [] AssemblyFileVersion = "1.0.02" + let [] AssemblyVersion = "1.0.03" + let [] AssemblyFileVersion = "1.0.03" let [] AssemblyConfiguration = "Release" diff --git a/src/BioFSharp.BioDB/AssemblyInfo.fs b/src/BioFSharp.BioDB/AssemblyInfo.fs index 1a771ca1..c0777269 100644 --- a/src/BioFSharp.BioDB/AssemblyInfo.fs +++ b/src/BioFSharp.BioDB/AssemblyInfo.fs @@ -5,8 +5,8 @@ open System.Reflection [] [] [")>] -[] -[] +[] +[] [] do () @@ -14,6 +14,6 @@ module internal AssemblyVersionInformation = let [] AssemblyTitle = "BioFSharp.BioDB" let [] AssemblyProduct = "BioFSharp" let [] AssemblyDescription = "An open source bioinformatics toolbox written in F#. " - let [] AssemblyVersion = "1.0.02" - let [] AssemblyFileVersion = "1.0.02" + let [] AssemblyVersion = "1.0.03" + let [] AssemblyFileVersion = "1.0.03" let [] AssemblyConfiguration = "Release" diff --git a/src/BioFSharp.IO/AssemblyInfo.fs b/src/BioFSharp.IO/AssemblyInfo.fs index 14900b62..aa17b5a4 100644 --- a/src/BioFSharp.IO/AssemblyInfo.fs +++ b/src/BioFSharp.IO/AssemblyInfo.fs @@ -5,8 +5,8 @@ open System.Reflection [] [] [")>] -[] -[] +[] +[] [] do () @@ -14,6 +14,6 @@ module internal AssemblyVersionInformation = let [] AssemblyTitle = "BioFSharp.IO" let [] AssemblyProduct = "BioFSharp" let [] AssemblyDescription = "An open source bioinformatics toolbox written in F#. " - let [] AssemblyVersion = "1.0.02" - let [] AssemblyFileVersion = "1.0.02" + let [] AssemblyVersion = "1.0.03" + let [] AssemblyFileVersion = "1.0.03" let [] AssemblyConfiguration = "Release" diff --git a/src/BioFSharp.ImgP/AssemblyInfo.fs b/src/BioFSharp.ImgP/AssemblyInfo.fs index 906b9f57..368d703b 100644 --- a/src/BioFSharp.ImgP/AssemblyInfo.fs +++ b/src/BioFSharp.ImgP/AssemblyInfo.fs @@ -5,8 +5,8 @@ open System.Reflection [] [] [")>] -[] -[] +[] +[] [] do () @@ -14,6 +14,6 @@ module internal AssemblyVersionInformation = let [] AssemblyTitle = "BioFSharp.ImgP" let [] AssemblyProduct = "BioFSharp" let [] AssemblyDescription = "An open source bioinformatics toolbox written in F#. " - let [] AssemblyVersion = "1.0.02" - let [] AssemblyFileVersion = "1.0.02" + let [] AssemblyVersion = "1.0.03" + let [] AssemblyFileVersion = "1.0.03" let [] AssemblyConfiguration = "Release" diff --git a/src/BioFSharp.ML/AssemblyInfo.fs b/src/BioFSharp.ML/AssemblyInfo.fs index 4ce65738..0c35b8b7 100644 --- a/src/BioFSharp.ML/AssemblyInfo.fs +++ b/src/BioFSharp.ML/AssemblyInfo.fs @@ -5,8 +5,8 @@ open System.Reflection [] [] [")>] -[] -[] +[] +[] [] do () @@ -14,6 +14,6 @@ module internal AssemblyVersionInformation = let [] AssemblyTitle = "BioFSharp.ML" let [] AssemblyProduct = "BioFSharp" let [] AssemblyDescription = "An open source bioinformatics toolbox written in F#. " - let [] AssemblyVersion = "1.0.02" - let [] AssemblyFileVersion = "1.0.02" + let [] AssemblyVersion = "1.0.03" + let [] AssemblyFileVersion = "1.0.03" let [] AssemblyConfiguration = "Release" diff --git a/src/BioFSharp.Parallel/AssemblyInfo.fs b/src/BioFSharp.Parallel/AssemblyInfo.fs index 68dce98c..b13d51d4 100644 --- a/src/BioFSharp.Parallel/AssemblyInfo.fs +++ b/src/BioFSharp.Parallel/AssemblyInfo.fs @@ -5,8 +5,8 @@ open System.Reflection [] [] [")>] -[] -[] +[] +[] [] do () @@ -14,6 +14,6 @@ module internal AssemblyVersionInformation = let [] AssemblyTitle = "BioFSharp.Parallel" let [] AssemblyProduct = "BioFSharp" let [] AssemblyDescription = "An open source bioinformatics toolbox written in F#. " - let [] AssemblyVersion = "1.0.02" - let [] AssemblyFileVersion = "1.0.02" + let [] AssemblyVersion = "1.0.03" + let [] AssemblyFileVersion = "1.0.03" let [] AssemblyConfiguration = "Release" diff --git a/src/BioFSharp.Stats/AssemblyInfo.fs b/src/BioFSharp.Stats/AssemblyInfo.fs index 0988e585..fe0b5d1a 100644 --- a/src/BioFSharp.Stats/AssemblyInfo.fs +++ b/src/BioFSharp.Stats/AssemblyInfo.fs @@ -5,8 +5,8 @@ open System.Reflection [] [] [")>] -[] -[] +[] +[] [] do () @@ -14,6 +14,6 @@ module internal AssemblyVersionInformation = let [] AssemblyTitle = "BioFSharp.Stats" let [] AssemblyProduct = "BioFSharp" let [] AssemblyDescription = "An open source bioinformatics toolbox written in F#. " - let [] AssemblyVersion = "1.0.02" - let [] AssemblyFileVersion = "1.0.02" + let [] AssemblyVersion = "1.0.03" + let [] AssemblyFileVersion = "1.0.03" let [] AssemblyConfiguration = "Release" diff --git a/src/BioFSharp.Vis/AssemblyInfo.fs b/src/BioFSharp.Vis/AssemblyInfo.fs index 737ec5ba..7fe8b05f 100644 --- a/src/BioFSharp.Vis/AssemblyInfo.fs +++ b/src/BioFSharp.Vis/AssemblyInfo.fs @@ -5,8 +5,8 @@ open System.Reflection [] [] [")>] -[] -[] +[] +[] [] do () @@ -14,6 +14,6 @@ module internal AssemblyVersionInformation = let [] AssemblyTitle = "BioFSharp.Vis" let [] AssemblyProduct = "BioFSharp" let [] AssemblyDescription = "An open source bioinformatics toolbox written in F#. " - let [] AssemblyVersion = "1.0.02" - let [] AssemblyFileVersion = "1.0.02" + let [] AssemblyVersion = "1.0.03" + let [] AssemblyFileVersion = "1.0.03" let [] AssemblyConfiguration = "Release" diff --git a/src/BioFSharp/AssemblyInfo.fs b/src/BioFSharp/AssemblyInfo.fs index 5c6d616c..1ae7d87b 100644 --- a/src/BioFSharp/AssemblyInfo.fs +++ b/src/BioFSharp/AssemblyInfo.fs @@ -5,8 +5,8 @@ open System.Reflection [] [] [")>] -[] -[] +[] +[] [] do () @@ -14,6 +14,6 @@ module internal AssemblyVersionInformation = let [] AssemblyTitle = "BioFSharp" let [] AssemblyProduct = "BioFSharp" let [] AssemblyDescription = "An open source bioinformatics toolbox written in F#. " - let [] AssemblyVersion = "1.0.02" - let [] AssemblyFileVersion = "1.0.02" + let [] AssemblyVersion = "1.0.03" + let [] AssemblyFileVersion = "1.0.03" let [] AssemblyConfiguration = "Release"