From 005146e99e1002fa81fa05fc106793b874d16d06 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Fri, 4 Dec 2020 15:18:42 +0000 Subject: [PATCH 01/17] Initial commit --- LICENSE | 21 +++++++++++++++++++++ 1 file changed, 21 insertions(+) create mode 100644 LICENSE diff --git a/LICENSE b/LICENSE new file mode 100644 index 0000000..96630f9 --- /dev/null +++ b/LICENSE @@ -0,0 +1,21 @@ +MIT License + +Copyright (c) 2020 Cailean Carter + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. From f6499d252f22c7920fb7a120fe0ad29cbb6e5b7f Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Mon, 7 Dec 2020 11:37:36 +0000 Subject: [PATCH 02/17] Add files via upload --- README.md | 156 ++++++++ abxrxpro.py | 807 ++++++++++++++++++++++++++++++++++++++++ pic/Demo.pptx | Bin 0 -> 198984 bytes pic/Pheno_template.png | Bin 0 -> 39332 bytes pic/Presentation1.png | Bin 0 -> 55861 bytes pic/main_plot.jpg | Bin 0 -> 35371 bytes pic/pheno_template.xlsx | Bin 0 -> 10900 bytes settings.json | 214 +++++++++++ 8 files changed, 1177 insertions(+) create mode 100644 README.md create mode 100644 abxrxpro.py create mode 100644 pic/Demo.pptx create mode 100644 pic/Pheno_template.png create mode 100644 pic/Presentation1.png create mode 100644 pic/main_plot.jpg create mode 100644 pic/pheno_template.xlsx create mode 100644 settings.json diff --git a/README.md b/README.md new file mode 100644 index 0000000..61bb318 --- /dev/null +++ b/README.md @@ -0,0 +1,156 @@ +# AbxRxPro: antibiotic resistance profiler + +AbxRxPro is a web-page visualisation tool for phenotypic antibiotic resistance using the graphing module Plotly. The plot can be annotated with genotypic data from antibiotic resistance genes identifying programmes like RGI (resistance gene identifier), staramr and amrfinder. The AbxRxPro package comes with a Galaxy workflow for the inputting of genome sequences through these antibiotic resistance genes identifiers. Frequencies for genes across your given isolates are plotted in a seperate tab. + +Main display + +
+ +## Features +- Save plots as profiles for faster loading +- Can specify which antibiotics to plot as a commandline argument +- Show genes present in your isolate which confer resistance to the antibiotic class +- Accepts genotypic data sources: staramr, RGI and amrfinder +- Plots gene frequencies and in which isolates +- Can personalise the colour scheme and have text overlay +- Can export your plots as interactive HTML files which load in your web browser (via Plotly) + +
+ +## Requirements +- Python 3.8.2 (may also be compatible with earlier and later versions of Python 3) +- Plotly 4.8.1 +- Pandas 1.1.3 +- Chrome web browser + +
+ +## Input files +### Phenotype file +The main input file to create any antibiotic resistance profile is a 'phenotype file' which contains the information regarding phenotypic resistance. This file should be in an Excel format with antibiotic names as column headers and isolate IDs as row headers. Specify phenotypic antibiotic resistance status using the following identifiers: + +Notation | Status +:---: | :---: +R | Resistant +I | Intermediate +S | Susceptible +U | Undetermined optional + +Missing cells will be assigned 'U' (undetermined). + +Phenotypic Excel file + + + +

+To create a new profile, you will need to specify the phenotypic file using the `-P` flag: +``` +abxrxpro -P path\to\pheno\phenotypic_data.xlsx +``` + +If your file path contains spaces you will need to put the file path in double quotation marks `"path\to\pheno\phenotypic data.xlsx"`. + +
+ +### Genotype files +AbxRxPro accepts certain output files from RGI, staramr and amrfinder. These file types are directly outputted from the Galaxy workflow provided in the AbxRxPro package. The accepted output file for each programme is: + +Source | output file +:---: | :--- +RGI | summary.txt (tabular) +staramr | summary.tsv (tabular) +amrfinder | result.tabular + +
+ +> ### Note +> Genotypic data files are optional, only the phenotype file is required for a profile. But once a profile is saved without genotypic information, it cannot be added to the profile later. + +
+ +Whilst the workflow and antibiotic resistance genes identifying tools themselves allow multiple isolates to be processed simultaneously, it is essential that each isolate/genome is processed singularly. Thus, each output file should be tied to a single isolate ID. This is because AbxRxPro requires the file names to be in the format of isolateID_source.format in order to be detected. The files can be in either tsv, tabular or text format but requires the information to be tab seperated (which is the default for the output files). + +
+ +>### Important: +>The file names for genotypic data must state the isolate ID and the source of genotype data (RGI, staramr & amrfinder). File names are case sensitive.
+ +``` +isolateID_RGI.tabular +isolateID_staramr.tabular +isolateID_amrfinder.tabular +``` + +
+ +## Create a profile +Instead of providing lengthy commandline arguments each time to load the same antibiotic resistance profile, you can save and load profiles. +

+To save a profile and display it: +``` +abxrxpro -n profile_name -P file\path\pheno.xlsx +``` +Or save a profile without displaying it: +``` +abxrxpro -b profile_name -P file\path\pheno.xlsx +``` +
+ +To load a saved profile: +``` +abxrxpro -l profile_name +``` +To see all your saved profiles as a summary: +``` +abxrxpro -p +``` + +
+ +## Export a profile +The Plotly module allows for graph objects (figures) to be exported as HTML files which can be launched into your web browser. AbxRxPro uses this module to export profiles as HTML files which you can do with the `-e` flag. This can be useful for retrieving an antibiotic resistance profile without interacting with AbxRxPro. It is recommended to export a profile only when saving or loading a profile, otherwise your HTML file will be saved with the name False. +

+To export a profile when saving (`-b` can be used instead of `-n`): +``` +abxrxpro -P file\path\pheno.xlsx -n profile_name -e +``` +To export a profile when loading: +``` +abxrxpro -l profile_name -e +``` + +
+ +## Input arguments + +Short flag | Long flag | Argument | Description +--- | --- | --- | --- +`-P` | `--pheno` | file path | Required for building a profile. Layout of Excel file is defined under Input Files section. +`-R` | `--RGI` | folder path | See Input Files for details. +`-S` | `--staramr` | folder path | See Input Files for details. +`-A` | `--amrfinder` | folder path | See Input Files for details. +`-a` | `--antibiotics` | space seperated list | Specify antibiotics to be displayed in plot. Default are those provided in phenotype file. +`-l` | `--load` | profile name | Load a saved antibiotic resistance profile +`-c` | `--colours` | space seperated list | Personalise colour scheme with a list of RGB values in order of
resistant, intermediate, susceptible and undetermined. Default values:
R : (255, 65, 54),
I : (255, 144, 14),
S : (44, 160, 101),
U : (93, 164, 214).
Usage: `abxrxpro.py -c (1,2,3) (4,5,6) (7,8,9) (10,11,12)` +`-d` | `--delete` | profile name | Delete a saved profile +`-p` | `--profiles` | | List saved profiles +`-e` | `--export` | | Export a saved profile when loading a saved profile or creating a new one.
Usage:
`abxrxpro.py -l profile_name -e`
or
`abxrxpro -P file -b profile_name -e` +  | `--hide` | | Do not show the gene frequency plot when genotype files are given with input.
Default is show gene frequency plot. Note: gene frequency plot is not displayed if no genotypic data is available. + `-b` | `--build` | profile name | Create and save an antibiotic resistance profile without plotting. + `-n` | `--new` | profile name | Create, save and plot a new antibiotic resistance profile. +  | `--find_log` | | Identify where log files are being stored so can be sent as part of a bug report. + + + +
+ +## Help +To load the help page, run the programme with no arguments or run with the `-h` or `--help` flag: +``` +abxrxpro -h +``` +If you are still experiencing problems, submit a bug report either in the Github page or email the author with a log file. Use `--find_log` flag will tell you where to find the log files. Including a log file as part of your bug report helps with debugging and understanding where things are going wrong. diff --git a/abxrxpro.py b/abxrxpro.py new file mode 100644 index 0000000..36552a7 --- /dev/null +++ b/abxrxpro.py @@ -0,0 +1,807 @@ +#!/usr/bin/python3 + +""" +AbxRxPro: Antibiotic Resistance Profiler + +Version: 2.0.1dev +Last modified: 04/12/2020 +Github: https://github.com/CaileanCarter/AbxRxPro +Author: Cailean Carter +Email: cailean.carter@quadram.ac.uk +Institute affiliation: Quadram Institute, Norwich Research Park + + +AbxRxPro is a tool for the visualisation of phenotypic antibiotic resistance as a bubble plot. +It allows for the inclusion of genotypic data from major antibiotic resistance genotype identifying programmes +like RGI (resistance gene identifier), staramr and amrfinder. Gene frequencies are also plotted alongside. +Plots can be saved as profiles which can be loaded directly. Plots can also be exported as an interactive +HTML file. Plots include text overlay and user-defined colour scheme for the plot. + +Plotting is done with Plotly and the plot will be displayed in your browser. + +For help, run AbxRxPro without any arguments or the -h or --help flag. +Alternatively, check out the AbxRxPro documentation. +""" + +import argparse +import glob +import json +import logging +import re + +from itertools import product +from datetime import datetime +from os import path, remove + +import plotly.graph_objects as go +import plotly.io as pio +import pandas as pd + + +relativepath = path.dirname(path.abspath(__file__)) + +date = datetime.now() + +logging.basicConfig( + filename = path.join(relativepath, "logs", f"{date.strftime('%y-%m-%d')}.log"), + format = '%(name)s - %(levelname)s - %(message)s', + level = logging.INFO + ) + + +### BASIC FUNCTIONS ### + +def delete_profile(profile): + + logging.info(f"""{date.strftime("%d/%m/%Y %H:%M")} Starting new log. \nUser requested to delete profile: {profile}""") + + # Check user wants to delete this profile + response = input(f"Are you sure you want to delete {profile}?: (y/n)\n") + # Handle response + if response == "n": + return + elif response == "y": + logging.info("User confirmed deletion of profile") + print(f"Deleting {profile}...") + else: + print("Sorry, response was not recognised. Please try again and respond with 'y' or 'n'.") + logging.warning(f"User did not provide a valid response. User entered: {response}") + return + + with open(rf"{relativepath}\settings.json", 'r') as settings: + data = json.load(settings) + + try: + del(data['profiles'][profile]) + logging.info("Deleted profile from imported settings.") + + except: + logging.error(f"Profile ({profile}) wasn't found and exception raised.") + raise ValueError("Profile not found. Please enter a valid profile ID. See profile list for available profiles.") + + with open(rf"{relativepath}\settings.json", 'w') as settings: + logging.info("Settings with updated profile list has been saved.") + json.dump(data, settings, indent=4) + + try: + remove(rf"{relativepath}\profiles\{profile}.json") + except: + logging.error(f"Profile files weren't found for {profile}. Exception raised.") + raise FileNotFoundError(f"Could not find profile file associated with {profile}") + + try: + remove(rf"{relativepath}\profiles\{profile}_gf.json") + except: + logging.warning(f"No gene frequency file could be found for {profile}. Perhaps no genotype data available.") + + + logging.info("""Profile associated files were successfully removed. \nDone. \n \n""") + +def list_profiles(): + "List all saved antibiotic resistance profiles." + + logging.info(f"""{date.strftime("%d/%m/%Y %H:%M")} Starting new log. \nUser requested to see profiles...""") + + with open(rf"{relativepath}\settings.json", 'r') as settings: + data = json.load(settings) + profiles = data["profiles"] + profiletable = pd.DataFrame.from_dict(profiles, orient="index") + print(profiletable.to_string()) + logging.info("""Profiles were successfully displayed. \nEnd. \n \n""") + parser.exit() + +def _find_log(): + logging.info("User is requesting location of log file...") + log = path.join(relativepath, "logs", date.strftime('%y-%m-%d')) + print(f"Location of relevant log file: \n{log}") + + +### HANDLES INPUT ### +class DataHandler: + + "Takes user inputs relating to data files." + + def __init__(self, antibiotics=None, profile=None, build=None, export=False, relativepath=None, show_genefrequency=False): + + # user input + self.build = build + self.export = export + self.profile = profile + self.antibiotics = [antibiotic.capitalize() for antibiotic in antibiotics] if antibiotics else None + self.show_genefrequency = show_genefrequency + + # internal variables + self.Colours = { + "R" : 'rgb(238, 102, 119)', + "I" : 'rgb(204, 187, 68)', + "S" : 'rgb(102, 204, 238)', + "U" : 'rgb(68, 119, 170)' + } + # self.Colours = { + # "R" : 'rgb(255, 65, 54)', + # "I" : 'rgb(255, 144, 14)', + # "S" : 'rgb(44, 160, 101)', + # "U" : 'rgb(93, 164, 214)' + # } + self.relativepath = relativepath if relativepath else path.dirname(path.abspath(__file__)) + self.ClassSelection = {} + self.Genotype = False + + # Data for plotting + self.isolateIDs = [] + self.GeneFrequencies = {} + self.antibioticcolours = [] + self.GeneCount = [] + self.textoverlay = [] + self.AbxAnnots = [] + self.data = {} + + + def __call__(self, pheno=None, RGI=None, staramr=None, amrfinder=None, colours=None, dev_1=False, dev_2=False): + + logging.info( +f"""{date.strftime("%d/%m/%Y %H:%M")} Starting new log. + +User input parameters: + +Phenotype file: {pheno} +RGI folder: {RGI} +staramr folder: {staramr} +amrfinder folder: {amrfinder} +Antibiotics: {self.antibiotics} +Profile name: {self.profile} +Build? {self.build} +Export? {self.export} + +""") + + if colours: + logging.info("Assigning colours") + self.set_colours(colours) + + if self.build: + self.profile = self.build + + if not pheno: + logging.error("No phenotypic data file was given.") + raise FileNotFoundError("No phenotypic data file given") + + logging.info("Getting phenotypic data.") + self.get_pheno(pheno) + + if not self.antibiotics: + logging.error(f"User did not provide any antibiotics to plot. \nAntibiotics variable: {self.antibiotics}") + raise ValueError("No list of antibiotics provided in phenotype file or using -a flag. \nCheck documentation for how antibiotics are declared.") + + logging.info(f"Isolate IDs identified: {self.isolateIDs}") + + logging.info("Getting antibiotics/classes from settings.") + self.load_antibiotic_settings() + self.antibiotics.sort() + self.data = {IsolateID : {} for IsolateID in self.isolateIDs} + + if any([RGI, staramr, amrfinder]): + logging.info("Genotype files detected") + self.Genotype = True + else: + logging.info("No genotype files given") + self.show_genefrequency = True + + if RGI: + logging.info("Getting RGI data...") + self.get_RGI(RGI) + + if staramr: + logging.info("Getting staramr data...") + self.get_staramr(staramr) + + if amrfinder: + logging.info("Getting amrfinder data...") + self.get_amrfinder(amrfinder) + + if dev_1: + logging.warning("Exporting self.data; this is a development tool") + self._output_data() + + if dev_2: + logging.warning("Exporting self.GeneFrequencies; this is a development tool") + self._output_genefrequencies() + + logging.info("Creating plot annotations.") + self.make_annotations() + + def load_antibiotic_settings(self): + with open(rf"{self.relativepath}\settings.json", 'r') as settings: + data = json.load(settings) + antibioticClass = data["antibiotics"] + for antibiotic in self.antibiotics: + Class = antibioticClass.get(antibiotic) + if Class: + self.ClassSelection.update({antibiotic : Class}) + logging.info("Retrieved antibiotic classes.") + + def set_colours(self, userScheme): + NewScheme = {} + for status, rgb in zip(self.Colours.keys(), userScheme): + NewScheme[status] = f"rgb{rgb}" + self.Colours = NewScheme + print("User defined colour scheme has been set.") + + def get_pheno(self, pheno): + + print("Reading antibiotic resistance phenotypic data...") + + pheno_df = pd.read_excel(pheno, index_col=0) + pheno_df = pheno_df.sort_index(axis=1) + pheno_df.columns = map(str.capitalize, pheno_df.columns) + + #Antibiotics on header + if not self.antibiotics: + self.antibiotics = list(pheno_df.keys()) + else: + self.antibiotics.sort() + if any(filter(lambda antibiotic : antibiotic not in pheno_df.columns, self.antibiotics)): + raise ValueError(f"""Antibiotic given with -a flag which is not in the phenotypic Excel file column names. \nCheck that {self.antibiotics} are present in the Excel file column headers.""") + + self.isolateIDs = list(pheno_df.index) + + # Replace missing values with 'U' for 'undetermined' for antibiotic resistance provided by user. + # Then get the colour pallet for given identifier. + pheno_df = pheno_df.filter(items=self.antibiotics).fillna('U') + + # Get the text overlay which is the user's original input + text = pheno_df.values.tolist() + self.textoverlay = [val for sublist in text for val in sublist] + + try: + pheno_df = pheno_df.applymap(lambda user_colour: self.Colours[user_colour]) + except KeyError as key: + raise KeyError(f"Invalid phenotypic resistance value: {key}. Accepted values are: R I, S, U.") + + + Colour_map = pheno_df.values.tolist() + self.antibioticcolours = [val for sublist in Colour_map for val in sublist] + + logging.info("Phenotypic data loaded.") + print("Done.") + + def assign_gene(self, ID, antibiotic, gene): + + if antibiotic in self.data[ID].keys(): + self.data[ID][antibiotic].append(gene) + else: + self.data[ID][antibiotic] = [gene] + + if gene in self.GeneFrequencies.keys(): + self.GeneFrequencies[gene]["isolates"].append(ID) + else: + self.GeneFrequencies[gene] = {"isolates" : [ID]} + + def get_staramr(self, filepath): + + print("Reading staramr data...") + + all_files = glob.glob(path.join(filepath, "*_staramr.t*")) + logging.info("Attempting to concat files for staramr") + + try: + staramr = pd.concat((pd.read_csv(file, sep="\t", index_col=0).assign(filename = path.basename(file)) for file in all_files)) + except ValueError: + logging.error("Could not detect any staramr data files.") + raise FileNotFoundError("No files detected for staramr data") + + try: + staramr = staramr[~staramr.Genotype.str.contains("None")] # Remove empty datasets + except TypeError: + logging.error("User provided resfinder file version.") + raise ValueError("You have provided the resfinder output of staramr instead of summary.tsv") + + staramr["Predicted Phenotype"] = staramr["Predicted Phenotype"].str.title().str.split(", ") # split the row into a list + staramr["Genotype"] = staramr["Genotype"].str.split(", ") + staramr["filename"] = staramr["filename"].str.replace("_staramr.t.*$", "", regex=True) + for row in staramr.itertuples(): + for antibiotic, gene in zip(row[2], row[1]): # iterate over all the antibiotic - gene pairs + self.assign_gene(row[3], antibiotic, gene) # give to the assign_gene function to sort out along with isolate ID. + logging.info("staramr data loaded.") + + print("Done.") + + def get_RGI(self, filepath): + + print("Reading RGI data...") + + all_files = glob.glob(path.join(filepath, "*_RGI.t*")) + logging.info("Attempting to concat files for RGI") + + try: + RGI = pd.concat((pd.read_csv(file, sep="\t").assign(filename = path.basename(file)) for file in all_files)) # Concat all the .tsv files and include file name which has the isolate ID + except ValueError: + logging.error("Could not detect any RGI files") + raise FileNotFoundError("No files detected for RGI data") + + RGI = RGI.filter(items=["Best_Hit_ARO", "Drug Class", "filename"]) + RGI = RGI[~RGI["Drug Class"].isna()] + + RGI["Drug Class"] = RGI["Drug Class"] \ + .str.replace(" antibiotic", "") \ + .str.title() \ + .str.split("; ") # Tidies the antibiotic class list + RGI["filename"] = RGI["filename"].str.replace("_RGI.t.*$", "", regex=True) + + def filter_antibiotics(Class): + "Checks to see if antibiotic class in one of those provided by the user." + antibiotics = [antibiotic + 's' for antibiotic in Class] + return list(filter(lambda x: x in self.ClassSelection.values(), antibiotics)) + + RGI["Drug Class"] = RGI["Drug Class"].apply(lambda Class: filter_antibiotics(Class)) + RGI = RGI[RGI["Drug Class"].map(lambda x: len(x)) > 0] # remove rows with empty lists. + for row in RGI.itertuples(): + for antibiotic in row[2]: # iterate over all the antibiotics + self.assign_gene(row[3], antibiotic, row[1]) # give to the assign_gene function to sort out along with isolate ID. + + logging.info("RGI data loaded.") + print("Done.") + + def get_amrfinder(self, filepath): + + print("Reading amrfinder data...") + + all_files = glob.glob(path.join(filepath, "*_amrfinder.t*")) + logging.info("Attempting to concat amrfinder files") + try: + amrfinder = pd.concat((pd.read_csv(file, sep="\t", index_col=0).assign(filename = path.basename(file)) for file in all_files)) + except ValueError: + logging.error("Could not detect any amrfinder data files.") + raise FileNotFoundError("No files detected for amrfinder data") + + amrfinder = amrfinder.filter(items=["Gene symbol", "Subclass", "filename"]) # extract relevant info + amrfinder = amrfinder[~amrfinder["Subclass"].isna()] + + amrfinder["Subclass"] = amrfinder["Subclass"].str.capitalize() # tidy antibiotic names + amrfinder["filename"] = amrfinder["filename"].str.replace("_amrfinder.t.*$", "", regex=True) + for row in amrfinder.itertuples(): + self.assign_gene(row[3], row[2], row[1]) # give to the assign_gene function to sort out along with isolate ID. + + logging.info("amrfinder data loaded.") + print("Done.") + + def make_annotations(self): + + print("Writing graph annotations...") + + for isolateID, antibiotic in product(self.isolateIDs, self.antibiotics): + annotation = "" + count = 5 # minimum marker size + + if antibiotic in self.data[isolateID].keys(): + annotation = f"{antibiotic}:
" + "
".join(set(self.data[isolateID][antibiotic])) + count += len(self.data[isolateID][antibiotic]) + + Class = self.ClassSelection.get(antibiotic) + if Class in self.data[isolateID].keys(): + + if annotation: + annotation += "
" + + annotation += f"{Class}:
" + "
".join(set(self.data[isolateID][Class])) + count += len(self.data[isolateID][Class]) + + self.GeneCount.append(count) + if annotation: + self.AbxAnnots.append(annotation) + else: + self.AbxAnnots.append("No genotype identified") + print("Done.") + + def _output_data(self): + if path.exists(rf"{self.relativepath}\data.json"): + raise FileExistsError + with open(rf"{self.relativepath}\data.json", "w") as outputdata: + json.dump(self.data, outputdata, indent=4) + + def _output_genefrequencies(self): + if path.exists(rf"{self.relativepath}\genefrequencies.json"): + raise FileExistsError + with open(rf"{self.relativepath}\genefrequencies.json", "w") as output: + json.dump(self.GeneFrequencies, output, indent=4) + + +### PLOTS PROFILES ### +class Display(DataHandler): + + "Plots antibiotic resistance files." + + def open_profile(self, profile): + logging.info(f"""{date.strftime("%d/%m/%Y %H:%M")} Starting new log. + +Opening profile: {profile}""") + + print(f"Loading {profile}...") + + fig = pio.read_json(rf"{self.relativepath}\profiles\{profile}.json") # open main profile + + try: + gffig = pio.read_json(rf"{self.relativepath}\profiles\{profile}_gf.json") # open gene frequency plot + except: + self.show_genefrequency = True + logging.warning("No gene frequency file associated with this profile. Possibly no genotypic data available.") + + logging.info("Profile associated files openned.") + + if self.export: + self.export_HTML(profile, fig, gffig) # export the profile if user requested + + print(f"{profile} has loaded... \nNow plotting...") + + pio.show(fig) + logging.info("Main plot displayed") + + if not self.show_genefrequency: + pio.show(gffig) + logging.info("Gene frequency plot displayed") + logging.info("Done. \n \n") + + print(f"{profile} is now displaying...") + + def create_profile(self, profile, fig, gffig): + + "Create a profile from inputted data which can be launched from again instead of inputting data and processing." + + logging.info(f"Creating new profile with name: {profile}") + + with open(rf"{self.relativepath}\settings.json", 'r') as settings: + profiles = json.load(settings) + + if profile in profiles["profiles"].keys(): + logging.error(f"Creating profile with name {profile} when it already exists.") + raise ValueError("Profile already exists. Please provide a different name or delete existing profile.") + + time = datetime.now() + # Create summary of profile to be shown in -p + profiles['profiles'][profile] = { + "Date created" : time.strftime("%d/%m/%Y %H:%M"), + "Antibiotic count" : len(self.antibiotics), + "Number of isolates" : len(self.isolateIDs), + "Antibiotics" : ', '.join(self.antibiotics[:5]) + '...', + "Isolates" : ', '.join(self.isolateIDs[:5]) + '...'} + + with open(rf"{self.relativepath}\settings.json", 'w') as settings: + logging.info("Saving new profile to settings.") + json.dump(profiles, settings, indent=4) + + pio.write_json(fig, rf"{self.relativepath}\profiles\{profile}.json") + if self.Genotype: + pio.write_json(gffig, rf"{self.relativepath}\profiles\{profile}_gf.json") + + logging.info("Profile saved.") + print("New profile has been saved.") + + def export_HTML(self, profile, fig, gffig): + + "Exports profiles to a HTML format which can be launched to a web browser and retain interactivity." + + logging.info("Exporting profile.") + + Download_path = path.join(path.expanduser('~'),'Downloads') + + if path.exists(path.join(Download_path, f'{profile}.html')): + logging.warning("Profile already exported to Downloads folder.") + raise FileExistsError("Profile already in Downloads folder.") + + Downloads = path.join(Download_path, f'{profile}.html') + go.Figure.write_html(fig, Downloads) + + if self.Genotype: + Downloads = path.join(Download_path, f'{profile}_gf.html') + go.Figure.write_html(gffig, Downloads) + + logging.info(f"Profiles were exported to: {Download_path}\\{profile}.html & {profile}_gf.html") + + print(f"""Your antibiotic resistance profile has been exported to your Downloads folder: +{Download_path}\\{profile}.html """ + "& {profile}_gf.html" if self.Genotype else "") + + def plot_frequencies(self): + + "Plots gene frequencies" + + logging.info("Plotting gene frequencies") + + gf = pd.DataFrame.from_dict(self.GeneFrequencies, orient="index") + gf["isolates"] = gf["isolates"].apply(lambda x : set(x)) + gf["frequency"] = gf["isolates"].apply(lambda x : len(x)) + gf["frequency"] = gf["frequency"].divide(len(self.isolateIDs)).mul(100) + gf["isolates"] = gf["isolates"].apply(lambda x : "Found in isolates:
" + "
".join(x)) + + gffig = go.Figure(data=[go.Bar( + x=gf.index, + y=gf["frequency"], + text= gf["isolates"])]) + + gffig.update_layout( + title = "AbxRxPro: {profile} gene frequencies".format(profile = self.profile if self.profile else ""), + title_font_size = 24, + xaxis_title = "Resistance gene", + yaxis_title = "Gene frequency (%)" + ) + + gffig.update_xaxes(tickangle=45) + + return gffig + + def plot(self): + + logging.info("Plotting antibiotic resistance profile.") + + x = [] + y = [] + for x_value, y_value in product(range(1, len(self.isolateIDs) + 1), range(1, len(self.antibiotics) + 1)): + x.append(x_value), y.append(y_value) + + # Plotting data + fig = go.Figure(data=[go.Scatter( + x=x, y=y, + text = self.AbxAnnots, + mode = 'markers', + customdata = self.textoverlay, + texttemplate = "%{customdata}", + textposition = "middle center", + textfont = dict(size=16), + showlegend = False, + marker = dict( + color = self.antibioticcolours, + size = self.GeneCount, + sizemode ='area', + sizeref = 2.*max(self.GeneCount)/(60.**2), + ) + )]) + + fig.update_layout( + title = "AbxRxPro: {profile} antibiotic resistance profile".format(profile = self.profile if self.profile else ""), + title_font_size = 24, + xaxis_title = "Isolate ID", + xaxis = dict( + tickmode = 'array', + tickvals = [x for x in range(1, len(self.isolateIDs) + 1)], + ticktext = self.isolateIDs + ), + yaxis_title = "Antibiotics", + yaxis = dict( + tickmode = 'array', + tickvals = [x for x in range(1, len(self.antibiotics) + 1)], + ticktext = self.antibiotics + ) + ) + + fig.update_layout( + updatemenus = [ + dict( + type = "buttons", + x = 1.1, + y = 1.1, + buttons = list([ + dict( + args=[{"mode" : "markers"}], + args2=[{"mode" : "markers+text"}], + label = "Text overlay", + method = "update")] + ))]) + + fig.add_trace(go.Scatter( + x = [None], + y = [None], + visible = "legendonly", + name = "Resistant (R)", + marker = dict(color = self.Colours.get("R")), + texttemplate = "R", + textposition = "middle center" + )) + fig.add_trace(go.Scatter( + x = [None], + y = [None], + visible = "legendonly", + name = "Intermediate (I)", + marker = dict(color = self.Colours.get("I")), + texttemplate = "I", + textposition = "middle center" + )) + fig.add_trace(go.Scatter( + x = [None], + y = [None], + visible = "legendonly", + name = "Susceptible (S)", + marker = dict(color = self.Colours.get("S")), + texttemplate = "S", + textposition = "middle center" + )) + fig.add_trace(go.Scatter( + x = [None], + y = [None], + visible = "legendonly", + name = "Undetermined (U)", + marker = dict(color = self.Colours.get("U")), + texttemplate = "U", + textposition = "middle center" + )) + fig.update_layout(legend_font_size=16) + + if self.Genotype: + gffig = self.plot_frequencies() # create gene frequency plot + else: + gffig = None + + if self.profile: + self.create_profile(self.profile, fig, gffig) # plot the given profile name + + if self.export: + self.export_HTML(self.profile, fig, gffig) # export to HTML + + if not self.build: + print("Loading plot...") + fig.show() # plot the graphs... + print("Now plotting your antibiotic resistance profile...") + + if not self.show_genefrequency: + gffig.show() # plot the gene frequencies + print("Gene frequencies now loaded.") + + logging.info("End. \n \n") + + +#### Argument parsing from commandline #### + +parser = argparse.ArgumentParser( +description="Create or load an antibiotic resistance profile.", formatter_class=argparse.RawTextHelpFormatter) + +Paths = parser.add_argument_group(title="File/folder inputs:") + +Paths.add_argument('-P', '--pheno', metavar="Excel file path", +help="""Required for building a profile. +File path to Excel file containing isolate names in first column. +If phenotypic resistance is included, header of each column should be antibiotic name. +Indicate phenotype with initialisations: +R : resistant +I : intermediate +S : susceptible +U : undetermined (optional: can be left blank)""") + +Paths.add_argument('-R', '--RGI', metavar="Folder path", +help="""Path to folder with RGI summary files. Ensure each file name contains the +isolate name in the format of IsolateID_RGI. Accepted formats are: TSV, tabular and text. +Values must be tab seperated.""") + +Paths.add_argument('-S', '--staramr', metavar="Folder path", +help="""Path to folder with staramr files. Ensure each file name contains the isolate name in +the format of IsolateID_staramr. Accepted formats are: TSV, tabular and text. +Values must be tab seperated.""") + +Paths.add_argument('-A', '--amrfinder', metavar="Folder path", +help="""Path to folder with amrfinder files. Ensure each file name contains the isolate name in + the format of IsolateID_amrfinder. Accepted formats are: TSV, tabular and text. +Values must be tab seperated.""") + +#provide own list of antibiotics +parser.add_argument('-a', '--antibiotics', nargs='+', metavar="name", +help="""Select which antibiotics from phenotypic antibiotic resistance file are to be displayed (space seperated). +Default is all the antibiotics given in column headers of phenotype file. +Usage: abxrxpro.py -a Ampicillin Tetracycline Trimethoprim""") + +# load a profile from a list +parser.add_argument('-l', '--load', metavar="profile name", help="Load antibiotic resistance profile.") + +# change colours of plot +parser.add_argument('-c', '--colours', nargs=4, metavar=("(RGB)", "(RGB)", "(RGB)", "(RGB)"), +help="""Specify colour indications for phenotypic resistance. +Provide space seperated list of RGB colours in order of +resistant, intermediate, susceptible, undetermined. +Default values: +R : (238,102,119), +I : (204,187,68), +S : (102,204,238), +U : (68,119,170) +Usage: abxrxpro.py -c (1,2,3) (4,5,6) (7,8,9) (10,11,12)""") + +parser.add_argument('-d', '--delete', type=str, metavar='profile name', help="Delete a profile.") +parser.add_argument('-p', '--profiles', action="store_true", default=False, help="List antibiotic resistance profiles.") +parser.add_argument('-e', '--export', action="store_true", default=False, help="Export profile to HTML") +parser.add_argument('--hide', action="store_true", default=False, help="Do not show gene frequencies.") +parser.add_argument('-D1', action="store_true", default=False, help=argparse.SUPPRESS) # Exports the main data container self.data (dev tool) +parser.add_argument('-D2', action="store_true", default=False, help=argparse.SUPPRESS) # Exports the gene frequency container self.GeneFrequencies (dev tool) +parser.add_argument('--find_log', action="store_true", default=False, help="Move log file to Downloads folder to be submitted as part of a bug report") + + +group1 = parser.add_mutually_exclusive_group() +# only builds the profile and does not plot +group1.add_argument('-b', '--build', default=False, type=str, metavar="profile name", +help="""Create and save an antibiotic resistance profile without plotting. +Requires a name for the profile as argument.""") +# saves profile and loads plot +group1.add_argument('-n', '--new', default=False, type=str, metavar="profile name", +help="""Create, save and plot a new antibiotic resistance profile. +Requires a name for the profile as argument.""") + +args = parser.parse_args() + + +### HANDLE INPUT ### + +if args.profiles: + list_profiles() + parser.exit() + +if args.delete: + delete_profile(args.delete) # Delete profile + parser.exit() + +# if a file was given without phenotypic file as reference: +if not args.pheno and any([args.RGI, args.staramr, args.amrfinder]): + logging.error( +f"""{date.strftime("%d/%m/%Y %H:%M")} Starting new log. + +User provided a genotype data file without a phenotypic file: + +Pheno: {args.pheno} + +RGI: {args.RGI} +staramr: {args.staramr} +amrfinder: {args.amrfinder} + +End. \n \n""" +) + raise FileNotFoundError("""A file was given without phenotypic file for reference of isolate IDs. +Please provide an Excel file containing at least 1 column with isolate names. +Use -P flag to give file path for this file.""") + +# if no input is given, the help message is shown +if not any(vars(args).values()): + print(__doc__) + parser.print_help() + parser.exit() + +if args.find_log: + _find_log() + parser.exit() + +# if a profile is given, the plot will be launched +if args.load: + ShowProfile = Display(export=args.export, relativepath=relativepath, show_genefrequency=args.hide) + ShowProfile.open_profile(args.load) + +else: # if plotting a new profile + ShowProfile = Display(args.antibiotics, + profile=args.new, + build=args.build, + export=args.export, + relativepath=relativepath, + show_genefrequency=args.hide) + + ShowProfile(args.pheno, + args.RGI, + args.staramr, + args.amrfinder, + colours=args.colours, + dev_1 = args.D1, + 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0000000..41d5bf7 --- /dev/null +++ b/settings.json @@ -0,0 +1,214 @@ +{ + "profiles": { + "demo4": { + "Date created": "02/12/2020 13:40", + "Antibiotic count": 17, + "Number of isolates": 20, + "Antibiotics": "Ampicillin, Cefalexin, Cefepime, Cefotaxime, Cefpodoxime...", + "Isolates": "GL1, GL2, GL3, GL4, GL5..." + }, + "justpheno": { + "Date created": "02/12/2020 16:01", + "Antibiotic count": 17, + "Number of isolates": 20, + "Antibiotics": "Ampicillin, Cefalexin, Cefepime, Cefotaxime, Cefpodoxime...", + "Isolates": "GL1, GL2, GL3, GL4, GL5..." + }, + "demo5": { + "Date created": "03/12/2020 15:35", + "Antibiotic count": 4, + "Number of isolates": 20, + "Antibiotics": "Ampicillin, Gentamicin, Nitrofurantoin, Trimethoprim...", + "Isolates": "GL1, GL2, GL3, GL4, GL5..." + }, + "testsubjects": { + "Date created": "04/12/2020 09:37", + "Antibiotic count": 5, + "Number of isolates": 3, + "Antibiotics": "Ampicillin, Cephalexin, Gentamicin, Nitrofurantoin, Rifampicin...", + "Isolates": "ST, MT, PA..." + }, + "demo6": { + "Date created": "07/12/2020 09:28", + "Antibiotic count": 4, + "Number of isolates": 20, + "Antibiotics": "Ampicillin, Gentamicin, Nitrofurantoin, Trimethoprim...", + "Isolates": "GL1, GL2, GL3, GL4, GL5..." + } + }, + "antibiotics": { + "Amikacin": "Aminoglycosides", + "Amoxicillin": "Penicillins", + "Co-amoxiclav": "Beta lactam", + "Ampicillin": "Penicillins", + "Arbekacin": "Aminoglycosides", + "Azithromycin": "Macrolides", + "Azlocillin": "Penicillins", + "Aztreonam": "Monobactams", + "Bacampicillin": "Penicillins", + "Benzathine benzylpenicillin": "Penicillins", + "Benzylpenicillin": "Penicillins", + "Biapenem": "Carbapenems", + "Carbenicillin": "Carboxypenicillins", + "Cefacetrile": "Cephalosporins", + "Cefaclor": "Cephalosporins", + "Cefadroxil": "Cephalosporins", + "Cefalexin": "Cephalosporins", + "Cefalotin": "Cephalosporins", + "Cefamandole": "Cephalosporins", + "Cefapirin": "Cephalosporins", + "Cefatrizine": "Cephalosporins", + "Cefazedone": "Cephalosporins", + "Cefazolin": "Cephalosporins", + "Cefbuperazone": "Cephalosporins", + "Cefcapene pivoxil": "Cephalosporins", + "Cefdinir": "Cephalosporins", + "Cefditoren pivoxil": "Cephalosporins", + "Cefepime": "Cephalosporins", + "Cefetamet pivoxil": "Cephalosporins", + "Cefixime": "Cephalosporins", + "Cefmenoxime": "Cephalosporins", + "Cefmetazole": "Cephalosporins", + "Cefminox": "Cephalosporins", + "Cefodizime": "Cephalosporins", + "Cefonicid": "Cephalosporins", + "Cefoperazone": "Cephalosporins", + "Ceforanide": "Cephalosporins", + "Cefoselis": "Cephalosporins", + "Cefotaxime": "Cephalosporins", + "Cefotetan": "Cephalosporins", + "Cefotiam": "Cephalosporins", + "Cefotiam hexetil": "Cephalosporins", + "Cefoxitin": "Cephalosporins", + "Cefozopran": "Cephalosporins", + "Cefpiramide": "Cephalosporins", + "Cefpirome": "Cephalosporins", + "Cefpodoxime proxetil": "Cephalosporins", + "Cefpodoxime": "Cephalosporins", + "Cefprozil": "Cephalosporins", + "Cefradine": "Cephalosporins", + "Cefroxadine": "Cephalosporins", + "Ceftaroline fosamil": "Cephalosporins", + "Ceftazidime": "Cephalosporins", + "Ceftazidime-avibactam": "Cephalosporins", + "Cefteram pivoxil": "Cephalosporins", + "Ceftezole": "Cephalosporins", + "Ceftibuten": "Cephalosporins", + "Ceftizoxime": "Cephalosporins", + "Ceftobiprole medocaril": "Cephalosporins", + "Ceftolozane-tazobactam": "Cephalosporins", + "Ceftriaxone": "Cephalosporins", + "Cefuroxime": "Cephalosporins", + "Chloramphenicol": "Amphenicols", + "Chlortetracycline": "Tetracyclines", + "Ciprofloxacin": "Fluoroquinolones", + "Clarithromycin": "Macrolides", + "Clindamycin": "Lincosamides", + "Clofoctol": "Phenol derivatives", + "Clometocillin": "Penicillins", + "Cloxacillin": "Penicillins", + "Colistin": "Polymyxins", + "Dalbavancin": "Glycopeptides", + "Dalfopristin-quinupristin": "Streptogramins", + "Daptomycin": "Lipopeptides", + "Delafloxacin": "Fluoroquinolones", + "Dibekacin": "Aminoglycosides", + "Dicloxacillin": "Penicillins", + "Dirithromycin": "Macrolides", + "Doripenem": "Carbapenems", + "Doxycycline": "Tetracyclines", + "Enoxacin": "Fluoroquinolones", + "Ertapenem": "Carbapenems", + "Eravacycline": "Tetracyclines", + "Erythromycin": "Macrolides", + "Faropenem": "Penems", + "Fleroxacin": "Fluoroquinolones", + "Flomoxef": "Cephalosporins", + "Flucloxacillin": "Penicillins", + "Flumequine": "Fluoroquinolones", + "Fosfomycin": "Phosphonics", + "Fusidic Acid": "Steroid antibacterials", + "Garenoxacin": "Fluoroquinolones", + "Gatifloxacin": "Fluoroquinolones", + "Gemifloxacin": "Fluoroquinolones", + "Gentamicin": "Aminoglycosides", + "Imipenem": "Carbapenems", + "Isepamicin": "Aminoglycosides", + "Josamycin": "Macrolides", + "Kanamycin": "Aminoglycosides", + "Latamoxef": "Cephalosporins", + "Levofloxacin": "Fluoroquinolones", + "Lincomycin": "Macrolides", + "Linezolid": "Oxazolidinones", + "Lomefloxacin": "Fluoroquinolones", + "Lymecycline": "Tetracyclines", + "Mecillinam": "Penicillins", + "Meropenem": "Carbapenems", + "Metacycline": "Tetracyclines", + "Metronidazole": "Imidazoles", + "Mezlocillin": "Penicillins", + "Micronomicin": "Aminoglycosides", + "Midecamycin": "Macrolides", + "Minocycline": "Tetracyclines", + "Moxifloxacin": "Fluoroquinolones", + "Nafcillin": "Penicillins", + "Neomycin": "Aminoglycosides", + "Netilmicin": "Aminoglycosides", + "Nitrofurantoin": "Nitrofurans", + "Norfloxacin": "Fluoroquinolones", + "Ofloxacin": "Fluoroquinolones", + "Oleandomycin": "Macrolides", + "Omadacycline": "Tetracyclines", + "Oritavancin": "Glycopeptides", + "Oxacillin": "Penicillins", + "Oxytetracycline": "Tetracyclines", + "Panipenem": "Carbapenems", + "Pazufloxacin": "Fluoroquinolones", + "Pefloxacin": "Fluoroquinolones", + "Penamecillin": "Penicillins", + "Pheneticillin": "Penicillins", + "Phenoxymethylpenicillin": "Penicillins", + "Piperacillin": "Penicillins", + "Pivampicillin": "Penicillins", + "Pivmecillinam": "Penicillins", + "Plazomicin": "Aminoglycosides", + "Polymyxin B": "Polymyxins", + "Pristinamycin": "Streptogramins", + "Procaine benzylpenicillin": "Penicillins", + "Prulifloxacin": "Fluoroquinolones", + "Ribostamycin": "Aminoglycosides", + "Rifabutin": "Rifamycins", + "Rifampicin": "Rifamycins", + "Rifamycin": "Rifamycins", + "Rifaximin": "Rifamycins", + "Roxithromycin": "Macrolides", + "Rufloxacin": "Fluoroquinolones", + "Sisomicin": "Aminoglycosides", + "Sitafloxacin": "Fluoroquinolones", + "Sparfloxacin": "Fluoroquinolones", + "Spectinomycin": "Aminocyclitols", + "Spiramycin": "Macrolides", + "Streptomycin": "Aminoglycosides", + "Sulbenicillin": "Penicillins", + "Sulfadiazine": "Sulfonamide", + "Sulfamethizole": "Sulfonamide", + "Sulfamethoxazole": "Sulfonamide", + "Sulfametrole": "Sulfonamide", + "Sulfamoxole": "Sulfonamide", + "Sultamicillin": "Beta lactam ", + "Tebipenem": "Carbapenems", + "Tedizolid": "Oxazolidinones", + "Teicoplanin": "Glycopeptides", + "Telavancin": "Glycopeptides", + "Telithromycin": "Macrolides", + "Temocillin": "Carboxypenicillins", + "Tetracycline": "Tetracyclines", + "Thiamphenicol": "Amphenicols", + "Ticarcillin": "Carboxypenicillins", + "Tigecycline": "Glycylcyclines", + "Tobramycin": "Aminoglycosides", + "Tosufloxacin": "Fluoroquinolones", + "Trimethoprim": "Diaminopyrimidines", + "Vancomycin": "Glycopeptides" + } +} \ No newline at end of file From c33d0705bdace40c0514b1d44a6cbc587b1dd5c7 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Mon, 7 Dec 2020 11:38:49 +0000 Subject: [PATCH 03/17] Update README.md Sorting images to load --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 61bb318..427331b 100644 --- a/README.md +++ b/README.md @@ -2,7 +2,7 @@ AbxRxPro is a web-page visualisation tool for phenotypic antibiotic resistance using the graphing module Plotly. The plot can be annotated with genotypic data from antibiotic resistance genes identifying programmes like RGI (resistance gene identifier), staramr and amrfinder. The AbxRxPro package comes with a Galaxy workflow for the inputting of genome sequences through these antibiotic resistance genes identifiers. Frequencies for genes across your given isolates are plotted in a seperate tab. -Main display @@ -40,7 +40,7 @@ U | Undetermined optional Missing cells will be assigned 'U' (undetermined). -Phenotypic Excel file From 5e5ea30db7b2c0cbb2568ce8a369b06aece4b7ab Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Mon, 7 Dec 2020 11:39:45 +0000 Subject: [PATCH 04/17] Delete Demo.pptx --- pic/Demo.pptx | Bin 198984 -> 0 bytes 1 file changed, 0 insertions(+), 0 deletions(-) delete mode 100644 pic/Demo.pptx diff --git a/pic/Demo.pptx b/pic/Demo.pptx deleted file mode 100644 index 9083a2e16eae43ae0776c4cc6ac22c9c0a780c88..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 198984 zcmeFYW02+jvL#$bmuYN+pe1G=bjVy+?i+M%tXAO-aGrl z=5Ozaow0J|%9Z(-lLQ7q1^@$q0000W06@2118)Tc0C<5006+qO0MZb&wsJ7Ca?nw7 zwK1~SqH(dbz|RE%BF_c@`a1vrZvTxVFqSlG)k6m_{Fv|p7t@GBKb1HW+Larnj3-ur zw?zuveKnx_U6lc!xl@8GIw!OV8)Pr< 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zCA9^w9=$Hr9uMn0f>B`JyI1-GnA=hj!41kvjOquRw}+0?h^x$`26M@R?y1XqH*krz z@^NXpBWl;m;#8IQO-w0=6N#Cb$uDmKmzv8F2in|Xud{7O_%*^sXB1`s#zIkf`~TTD z=d04$`#yf(|8GNj&)HV3-+yNBkBi^E^!tI>`*-)n{{K`Jcy^ue?rQ(7TT0g6FKVg| zTQ2m_dwKugN5}K)zc(*CyxnHyj{K+k_x}RNRdr+Aqqe>MpYyZp|EF^KZ80 z(gIwJSlkT#oL>L`p85X&=eCEJaZe2R|8Cm*zaQS(|3A0eK62~Rw)wvP{w+Ucw_d&f zr~Uf>%Z43?YxX#Zx*{ZPV~;-`|aQS+WecV*0QhmdaeD-V|mc4ClAu! z>;Jy||NAxf>h_?OH_kq0ulw1}|L>1=e%B)i(d1`}C$gBSS+saIqm3OI^y#?NJjbr~%bHmj1Jsi=1@xjgtB|P_%lw`njxg HN@xNAy!}OV literal 0 HcmV?d00001 From aceb84f2760353ceafd2f5d78ec4a545de0de8d5 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Mon, 7 Dec 2020 11:42:40 +0000 Subject: [PATCH 08/17] Update README.md --- README.md | 9 +++------ 1 file changed, 3 insertions(+), 6 deletions(-) diff --git a/README.md b/README.md index 427331b..8de668e 100644 --- a/README.md +++ b/README.md @@ -2,9 +2,8 @@ AbxRxPro is a web-page visualisation tool for phenotypic antibiotic resistance using the graphing module Plotly. The plot can be annotated with genotypic data from antibiotic resistance genes identifying programmes like RGI (resistance gene identifier), staramr and amrfinder. The AbxRxPro package comes with a Galaxy workflow for the inputting of genome sequences through these antibiotic resistance genes identifiers. Frequencies for genes across your given isolates are plotted in a seperate tab. -Main display +![alt text](https://github.com/CaileanCarter/AbxRxPro/pic/main_plot.png "Main display for AbxRxPro") +
@@ -40,9 +39,7 @@ U | Undetermined optional Missing cells will be assigned 'U' (undetermined). -Phenotypic Excel file +![alt text](https://github.com/CaileanCarter/AbxRxPro/pic/Pheno_template.png "Excel file layout") From ccf1a8ee5d84f08050482b951282d180173f5757 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Mon, 7 Dec 2020 11:45:28 +0000 Subject: [PATCH 09/17] Update README.md --- README.md | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index 8de668e..480b73b 100644 --- a/README.md +++ b/README.md @@ -2,8 +2,7 @@ AbxRxPro is a web-page visualisation tool for phenotypic antibiotic resistance using the graphing module Plotly. The plot can be annotated with genotypic data from antibiotic resistance genes identifying programmes like RGI (resistance gene identifier), staramr and amrfinder. The AbxRxPro package comes with a Galaxy workflow for the inputting of genome sequences through these antibiotic resistance genes identifiers. Frequencies for genes across your given isolates are plotted in a seperate tab. -![alt text](https://github.com/CaileanCarter/AbxRxPro/pic/main_plot.png "Main display for AbxRxPro") - +![alt text](https://github.com/CaileanCarter/AbxRxPro/blob/main/pic/main_plot.png "Main display for AbxRxPro")
@@ -39,7 +38,7 @@ U | Undetermined optional Missing cells will be assigned 'U' (undetermined). -![alt text](https://github.com/CaileanCarter/AbxRxPro/pic/Pheno_template.png "Excel file layout") +![alt text](https://github.com/CaileanCarter/AbxRxPro/blob/main/pic/Pheno_template.png "Excel file layout") From 2ba67b27538eb6a7ab42fc2de015288dea226004 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Mon, 7 Dec 2020 11:49:43 +0000 Subject: [PATCH 10/17] Add files via upload --- logs/EMPTY.txt | 1 + profiles/EMPTY.txt | 1 + 2 files changed, 2 insertions(+) create mode 100644 logs/EMPTY.txt create mode 100644 profiles/EMPTY.txt diff --git a/logs/EMPTY.txt b/logs/EMPTY.txt new file mode 100644 index 0000000..f65af20 --- /dev/null +++ b/logs/EMPTY.txt @@ -0,0 +1 @@ +### EMPTY \ No newline at end of file diff --git a/profiles/EMPTY.txt b/profiles/EMPTY.txt new file mode 100644 index 0000000..f65af20 --- /dev/null +++ b/profiles/EMPTY.txt @@ -0,0 +1 @@ +### EMPTY \ No newline at end of file From f0900538a116206b448087c11709f53277a2e8de Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Mon, 7 Dec 2020 11:52:44 +0000 Subject: [PATCH 11/17] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 480b73b..d3f71e4 100644 --- a/README.md +++ b/README.md @@ -131,7 +131,7 @@ Short flag | Long flag | Argument | Description `-A` | `--amrfinder` | folder path | See Input Files for details. `-a` | `--antibiotics` | space seperated list | Specify antibiotics to be displayed in plot. Default are those provided in phenotype file. `-l` | `--load` | profile name | Load a saved antibiotic resistance profile -`-c` | `--colours` | space seperated list | Personalise colour scheme with a list of RGB values in order of
resistant, intermediate, susceptible and undetermined. Default values:
R : (255, 65, 54),
I : (255, 144, 14),
S : (44, 160, 101),
U : (93, 164, 214).
Usage: `abxrxpro.py -c (1,2,3) (4,5,6) (7,8,9) (10,11,12)` +`-c` | `--colours` | space seperated list | Personalise colour scheme with a list of RGB values in order of
resistant, intermediate, susceptible and undetermined. Default values:
R : (238, 102, 119),
I : (204, 187, 68),
S : (102, 204, 238),
U : (68, 119, 170).
Usage: `abxrxpro.py -c (1,2,3) (4,5,6) (7,8,9) (10,11,12)` `-d` | `--delete` | profile name | Delete a saved profile `-p` | `--profiles` | | List saved profiles `-e` | `--export` | | Export a saved profile when loading a saved profile or creating a new one.
Usage:
`abxrxpro.py -l profile_name -e`
or
`abxrxpro -P file -b profile_name -e` From c1cc97ea241793017bf5d17ffb5a0e8d24733a04 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Mon, 7 Dec 2020 11:55:58 +0000 Subject: [PATCH 12/17] Add files via upload --- AbxRxPro_workflow.ga | 1 + MANIFEST.in | 4 ++++ __init__.py | 3 +++ setup.py | 20 ++++++++++++++++++++ 4 files changed, 28 insertions(+) create mode 100644 AbxRxPro_workflow.ga create mode 100644 MANIFEST.in create mode 100644 __init__.py create mode 100644 setup.py diff --git a/AbxRxPro_workflow.ga b/AbxRxPro_workflow.ga new file mode 100644 index 0000000..00b7f91 --- /dev/null +++ b/AbxRxPro_workflow.ga @@ -0,0 +1 @@ +{"uuid": "1375a4f1-b98c-4de9-b8e9-66ca27a11447", "tags": [], "format-version": "0.1", "name": "AbxRxPro_workflow", "version": 10, "steps": {"0": {"tool_id": null, "tool_version": null, "outputs": [], "workflow_outputs": [{"output_name": "output", "uuid": "f1e9ccf6-bd13-452d-9e25-ca3f49de7787", "label": null}], "input_connections": {}, "tool_state": "{}", "id": 0, "uuid": "3a17bcbb-300b-44a0-a5fb-d0852c53466f", "errors": null, "name": "Input dataset", "label": null, "inputs": [], "position": {"top": 357.5, "left": 206}, "annotation": "", "content_id": null, "type": "data_input"}, "1": {"tool_id": "toolshed.g2.bx.psu.edu/repos/nml/staramr/staramr_search/0.4.0", "tool_version": "0.4.0", "outputs": [{"type": "input", "name": "blast_hits"}, {"type": "tabular", "name": "summary"}, {"type": "tabular", "name": "resfinder"}, {"type": "txt", "name": "settings"}, {"type": "xlsx", "name": "excel"}], "workflow_outputs": [{"output_name": "summary", "uuid": "a25a9952-ced3-4af0-a05b-f0a0ecc534e6", "label": null}], "input_connections": {"genomes": {"output_name": "output", "id": 0}}, "tool_state": "{\"__page__\": null, \"__rerun_remap_job_id__\": null, \"genomes\": \"{\\\"__class__\\\": \\\"ConnectedValue\\\"}\", \"advanced\": \"{\\\"exclude_genes\\\": {\\\"__current_case__\\\": 0, \\\"exclude_genes_condition\\\": \\\"default\\\"}, \\\"exclude_negatives\\\": \\\"false\\\", \\\"exclude_resistance_phenotypes\\\": \\\"false\\\", \\\"pid_threshold\\\": \\\"98.0\\\", \\\"plength_pointfinder\\\": \\\"95.0\\\", \\\"plength_resfinder\\\": \\\"60.0\\\", \\\"report_all_blast\\\": \\\"false\\\"}\", \"use_pointfinder\": \"{\\\"__current_case__\\\": 1, \\\"enable\\\": \\\"false\\\"}\"}", "id": 1, "tool_shed_repository": {"owner": "nml", "changeset_revision": "930893c83a1a", "name": "staramr", "tool_shed": "toolshed.g2.bx.psu.edu"}, "uuid": "67a91c9c-edc1-48de-a6b2-2b3db6a3d028", "errors": null, "name": "staramr", "post_job_actions": {"HideDatasetActionexcel": {"output_name": "excel", "action_type": "HideDatasetAction", "action_arguments": {}}, "HideDatasetActionblast_hits": {"output_name": "blast_hits", "action_type": "HideDatasetAction", "action_arguments": {}}, "HideDatasetActionsettings": {"output_name": "settings", "action_type": "HideDatasetAction", "action_arguments": {}}, "HideDatasetActionresfinder": {"output_name": "resfinder", "action_type": "HideDatasetAction", "action_arguments": {}}}, "label": null, "inputs": [], "position": {"top": 240.5, "left": 478}, "annotation": "", "content_id": "toolshed.g2.bx.psu.edu/repos/nml/staramr/staramr_search/0.4.0", "type": "tool"}, "2": {"tool_id": "toolshed.g2.bx.psu.edu/repos/card/rgi/rgi/4.2.2", "tool_version": "4.2.2", "outputs": [{"type": "json", "name": "report"}, {"type": "tabular", "name": "summary"}], "workflow_outputs": [{"output_name": "summary", "uuid": "1548f1c8-a546-4a9f-b575-646d33eb1579", "label": null}], "input_connections": {"input_sequence": {"output_name": "output", "id": 0}}, "tool_state": "{\"__page__\": null, \"alignment_tool\": \"\\\"diamond\\\"\", \"db_opts\": \"{\\\"__current_case__\\\": 0, \\\"db_opts_selector\\\": \\\"default\\\", \\\"rgi_db_hist\\\": \\\"\\\", \\\"rgi_db_local\\\": \\\"\\\"}\", \"input_type\": \"\\\"contig\\\"\", \"include_loose\": \"\\\"false\\\"\", \"low_quality\": \"\\\"false\\\"\", \"input_sequence\": \"{\\\"__class__\\\": \\\"ConnectedValue\\\"}\", \"data\": \"\\\"NA\\\"\", \"__rerun_remap_job_id__\": null}", "id": 2, "tool_shed_repository": {"owner": "card", "changeset_revision": "715bc9aeef69", "name": "rgi", "tool_shed": "toolshed.g2.bx.psu.edu"}, "uuid": "0ceef38a-3c87-4196-86fc-0b7f965a1420", "errors": null, "name": "Resistance Gene Identifier (RGI)", "post_job_actions": {"HideDatasetActionreport": {"output_name": "report", "action_type": "HideDatasetAction", "action_arguments": {}}}, "label": null, "inputs": [], "position": {"top": 560.5, "left": 491}, "annotation": "", "content_id": "toolshed.g2.bx.psu.edu/repos/card/rgi/rgi/4.2.2", "type": "tool"}, "3": {"tool_id": "testtoolshed.g2.bx.psu.edu/repos/thanhlv/amrfinderplus/amrfinder/3.1.1b+galaxy1", "tool_version": "3.1.1b+galaxy1", "outputs": [{"type": "tabular", "name": "result"}], "workflow_outputs": [{"output_name": "result", "uuid": "c91cbdba-bc3a-4fc5-886f-3f0d1a2ce2aa", "label": null}], "input_connections": {"input_selection|fasta_file": {"output_name": "output", "id": 0}}, "tool_state": "{\"__page__\": null, \"gpipe\": \"\\\"false\\\"\", \"input_selection\": \"{\\\"__current_case__\\\": 0, \\\"fasta_file\\\": {\\\"__class__\\\": \\\"ConnectedValue\\\"}, \\\"input_source_selector\\\": \\\"nuc\\\"}\", \"__rerun_remap_job_id__\": null, \"db\": \"\\\"2019-09-06.1\\\"\", \"min_iden\": \"\\\"-1.0\\\"\", \"min_cov\": \"\\\"0.5\\\"\", \"plus\": \"\\\"false\\\"\", \"point_mut_all\": \"\\\"false\\\"\", \"organism\": \"null\", \"report_common\": \"\\\"false\\\"\"}", "id": 3, "tool_shed_repository": {"owner": "thanhlv", "changeset_revision": "37da099a5347", "name": "amrfinderplus", "tool_shed": "testtoolshed.g2.bx.psu.edu"}, "uuid": "089cae15-1309-41ee-9061-94c05027e53f", "errors": null, "name": "amrfinder", "post_job_actions": {}, "label": null, "inputs": [], "position": {"top": 740, "left": 485}, "annotation": "", "content_id": "testtoolshed.g2.bx.psu.edu/repos/thanhlv/amrfinderplus/amrfinder/3.1.1b+galaxy1", "type": "tool"}}, "annotation": "", "a_galaxy_workflow": "true"} \ No newline at end of file diff --git a/MANIFEST.in b/MANIFEST.in new file mode 100644 index 0000000..439a286 --- /dev/null +++ b/MANIFEST.in @@ -0,0 +1,4 @@ +include settings.json +include pic/ +include logs/ +include profiles/ \ No newline at end of file diff --git a/__init__.py b/__init__.py new file mode 100644 index 0000000..612ca05 --- /dev/null +++ b/__init__.py @@ -0,0 +1,3 @@ +# __init__.py + +__version__ = "2.0.1" \ No newline at end of file diff --git a/setup.py b/setup.py new file mode 100644 index 0000000..fc05a71 --- /dev/null +++ b/setup.py @@ -0,0 +1,20 @@ +import pathlib +from distutils.core import setup + +HERE = pathlib.Path(__file__) + +README = (HERE / "README.md").read_text() + +setup( + name="abxrxpro", + version="2.0.1", + description="Visualise your isolate's antibiotic resistance profile", + long_description=README, + long_description_content_type="text/markdown", + url="https://github.com/CaileanCarter/AbxRxPro", + author="Cailean Carter", + author_email="cailean.carter@quadram.ac.uk", + license="MIT", + include_package_data=True, + install_requires=["plotly", "pandas"] +) \ No newline at end of file From 58c2369d6cb75e3db22218489d01144d8ebe2bb6 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Mon, 7 Dec 2020 12:02:43 +0000 Subject: [PATCH 13/17] Update setup.py --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index fc05a71..c28c296 100644 --- a/setup.py +++ b/setup.py @@ -1,7 +1,7 @@ import pathlib from distutils.core import setup -HERE = pathlib.Path(__file__) +HERE = pathlib.Path(__file__).parent README = (HERE / "README.md").read_text() @@ -17,4 +17,4 @@ license="MIT", include_package_data=True, install_requires=["plotly", "pandas"] -) \ No newline at end of file +) From 602e9a06a2529bfe39b4888ade375f14c3d52b95 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Wed, 27 Jan 2021 15:55:37 +0000 Subject: [PATCH 14/17] Removing test profiles from settings.json --- settings.json | 40 ++-------------------------------------- 1 file changed, 2 insertions(+), 38 deletions(-) diff --git a/settings.json b/settings.json index 41d5bf7..5eee861 100644 --- a/settings.json +++ b/settings.json @@ -1,41 +1,5 @@ { - "profiles": { - "demo4": { - "Date created": "02/12/2020 13:40", - "Antibiotic count": 17, - "Number of isolates": 20, - "Antibiotics": "Ampicillin, Cefalexin, Cefepime, Cefotaxime, Cefpodoxime...", - "Isolates": "GL1, GL2, GL3, GL4, GL5..." - }, - "justpheno": { - "Date created": "02/12/2020 16:01", - "Antibiotic count": 17, - "Number of isolates": 20, - "Antibiotics": "Ampicillin, Cefalexin, Cefepime, Cefotaxime, Cefpodoxime...", - "Isolates": "GL1, GL2, GL3, GL4, GL5..." - }, - "demo5": { - "Date created": "03/12/2020 15:35", - "Antibiotic count": 4, - "Number of isolates": 20, - "Antibiotics": "Ampicillin, Gentamicin, Nitrofurantoin, Trimethoprim...", - "Isolates": "GL1, GL2, GL3, GL4, GL5..." - }, - "testsubjects": { - "Date created": "04/12/2020 09:37", - "Antibiotic count": 5, - "Number of isolates": 3, - "Antibiotics": "Ampicillin, Cephalexin, Gentamicin, Nitrofurantoin, Rifampicin...", - "Isolates": "ST, MT, PA..." - }, - "demo6": { - "Date created": "07/12/2020 09:28", - "Antibiotic count": 4, - "Number of isolates": 20, - "Antibiotics": "Ampicillin, Gentamicin, Nitrofurantoin, Trimethoprim...", - "Isolates": "GL1, GL2, GL3, GL4, GL5..." - } - }, + "profiles": {}, "antibiotics": { "Amikacin": "Aminoglycosides", "Amoxicillin": "Penicillins", @@ -211,4 +175,4 @@ "Trimethoprim": "Diaminopyrimidines", "Vancomycin": "Glycopeptides" } -} \ No newline at end of file +} From 80c4848935e0a343a516a3896b9fd03975088873 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Tue, 9 Mar 2021 16:47:35 +0000 Subject: [PATCH 15/17] Added LGTM badges --- README.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/README.md b/README.md index d3f71e4..0db15cd 100644 --- a/README.md +++ b/README.md @@ -1,3 +1,6 @@ +[![Total alerts](https://img.shields.io/lgtm/alerts/g/CaileanCarter/AbxRxPro.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/CaileanCarter/AbxRxPro/alerts/) +[![Language grade: Python](https://img.shields.io/lgtm/grade/python/g/CaileanCarter/AbxRxPro.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/CaileanCarter/AbxRxPro/context:python) + # AbxRxPro: antibiotic resistance profiler AbxRxPro is a web-page visualisation tool for phenotypic antibiotic resistance using the graphing module Plotly. The plot can be annotated with genotypic data from antibiotic resistance genes identifying programmes like RGI (resistance gene identifier), staramr and amrfinder. The AbxRxPro package comes with a Galaxy workflow for the inputting of genome sequences through these antibiotic resistance genes identifiers. Frequencies for genes across your given isolates are plotted in a seperate tab. From 163e5feb4fd2fcbb74ad4bd99d96bc2fcf0079e8 Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Thu, 11 Mar 2021 13:58:11 +0000 Subject: [PATCH 16/17] Added version --- README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/README.md b/README.md index 0db15cd..b26c0c3 100644 --- a/README.md +++ b/README.md @@ -1,3 +1,4 @@ +![GitHub release (latest by date)](https://img.shields.io/github/v/release/CaileanCarter/AbxRxPro) [![Total alerts](https://img.shields.io/lgtm/alerts/g/CaileanCarter/AbxRxPro.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/CaileanCarter/AbxRxPro/alerts/) [![Language grade: Python](https://img.shields.io/lgtm/grade/python/g/CaileanCarter/AbxRxPro.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/CaileanCarter/AbxRxPro/context:python) From e4a85694775062970e75ab6d64179660d2ef6e5f Mon Sep 17 00:00:00 2001 From: Cailean Carter <66994582+CaileanCarter@users.noreply.github.com> Date: Thu, 11 Mar 2021 14:06:00 +0000 Subject: [PATCH 17/17] License badge added --- README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/README.md b/README.md index b26c0c3..e11bed7 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,5 @@ ![GitHub release (latest by date)](https://img.shields.io/github/v/release/CaileanCarter/AbxRxPro) +[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT) [![Total alerts](https://img.shields.io/lgtm/alerts/g/CaileanCarter/AbxRxPro.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/CaileanCarter/AbxRxPro/alerts/) [![Language grade: Python](https://img.shields.io/lgtm/grade/python/g/CaileanCarter/AbxRxPro.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/CaileanCarter/AbxRxPro/context:python)