From 478bb68c02cb8ff8c6357ae5fc89a221afa89558 Mon Sep 17 00:00:00 2001
From: anaik <anaik@sv2218.zit.bam.de>
Date: Mon, 21 Aug 2023 13:39:24 +0200
Subject: [PATCH 01/11] crude icohp vs bond length plotter

---
 .github/workflows/python-package.yml     |  4 +-
 lobsterpy/plotting/__init__.py           | 79 ++++++++++++++++++++++++
 lobsterpy/plotting/test/test_plotting.py | 30 ++++++++-
 pyproject.toml                           |  7 +++
 4 files changed, 117 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml
index 7bbdcdaa..6d09220f 100644
--- a/.github/workflows/python-package.yml
+++ b/.github/workflows/python-package.yml
@@ -42,7 +42,7 @@ jobs:
       # run this locally to update tests durations
       # pytest --cov=lobsterpy --cov-append --splits 1 --group 1 --durations-path ./lobsterpy/TestData/.pytest-split-durations --store-durations
       run: |
-        pytest --cov=lobsterpy --cov-append --splits 5 --group ${{ matrix.split }} --durations-path ./lobsterpy/TestData/.pytest-split-durations
+        pytest --cov=lobsterpy --cov-report term-missing --cov-append  --splits 5 --group ${{ matrix.split }} --durations-path ./lobsterpy/TestData/.pytest-split-durations
     - name: Upload coverage
       uses: actions/upload-artifact@v3
       with:
@@ -68,4 +68,4 @@ jobs:
           continue-on-error: true
           run: |
             coverage combine coverage*/.coverage*
-            coverage report
+            coverage report --show-missing
diff --git a/lobsterpy/plotting/__init__.py b/lobsterpy/plotting/__init__.py
index 81b0cab3..9a942966 100644
--- a/lobsterpy/plotting/__init__.py
+++ b/lobsterpy/plotting/__init__.py
@@ -12,6 +12,7 @@
 import numpy as np
 from matplotlib import pyplot as plt
 from pkg_resources import resource_filename
+from pymatgen.io.lobster import Icohplist
 from pymatgen.electronic_structure.core import Spin
 from pymatgen.electronic_structure.cohp import Cohp
 from pymatgen.electronic_structure.plotter import CohpPlotter
@@ -648,3 +649,81 @@ def _insert_number_of_bonds_in_label(
              bond label with number of bonds inserted
         """
         return label.replace(character, f"{character} {number_of_bonds} x", 1)
+
+
+class IcohpPlotter:
+    """
+    Plotter to generate ICOHP or ICOBI or ICOOP vs bond lengths plots
+    """
+
+    def __init__(self, icohplist: Icohplist):
+        """
+        Args:
+            icohplist: pymatgen icohplist list object
+        """
+        self.icohplist = icohplist
+
+    def get_plot(
+        self,
+        ax: "matplotlib.axes.Axes | None" = None,
+        style: "matplotlib.plot.style| None" = None,
+        marker_size: float = 50,
+        marker_style: str = "o",
+        xlim: "Tuple[float, float] | None" = None,
+        ylim: "Tuple[float, float] | None" = None,
+    ):
+        """
+        Get a matplotlib plot showing the COHP or COBI or COOP with respect to bond lengths.
+
+        Args:
+            ax: Existing Matplotlib Axes object to plot to.
+            style: matplotlib style string, if None, will
+                use lobsterpy style by default.
+            marker_size: sets the size of markers in scatter plots
+            marker_style: sets type of marker used in plot
+            xlim: Specifies the x-axis limits. Defaults to None for
+                automatic determination.
+            ylim: Specifies the y-axis limits. Defaults to None for
+                automatic determination.
+        Returns:
+            A matplotlib object.
+        """
+        if self.icohplist.are_coops and not self.icohplist.are_cobis:
+            cohp_label = "ICOOP"
+        elif self.icohplist.are_cobis and not self.icohplist.are_coops:
+            cohp_label = "ICOBI"
+        elif self.icohplist.are_cobis and self.icohplist.are_coops:
+            raise ValueError(
+                "Plot data should not contain ICOBI and ICOOP data at same time"
+            )
+        else:
+            cohp_label = "ICOHP (eV)"
+
+        if style is None:
+            style = get_style_list()[0]
+            plt.style.use(style)
+
+        if ax is None:
+            _, ax = plt.subplots()
+
+        if xlim:
+            ax.set_xlim(xlim)
+        if ylim:
+            ax.set_ylim(ylim)
+
+        ax.set_ylabel(cohp_label)
+        ax.set_xlabel("Bond lengths (\u00c5)")
+
+        icohps = []
+        bond_len = []
+        orb_data = {}
+        for label, data in self.icohplist.icohplist.items():
+            orb_data.update({label: {}})
+            for k, v in data["orbitals"].items():
+                orb_data[label].update({k: sum(v["icohp"].values())})
+            icohps.append(sum(data["icohp"].values()))
+            bond_len.append(data["length"])
+
+        ax.scatter(bond_len, icohps, s=marker_size, marker=marker_style)
+
+        return plt
diff --git a/lobsterpy/plotting/test/test_plotting.py b/lobsterpy/plotting/test/test_plotting.py
index e41eb811..1c594902 100644
--- a/lobsterpy/plotting/test/test_plotting.py
+++ b/lobsterpy/plotting/test/test_plotting.py
@@ -5,9 +5,10 @@
 import json
 from pathlib import Path
 from plotly.io import read_json
+from pymatgen.io.lobster import Icohplist
 from lobsterpy.cohp.analyze import Analysis
 from lobsterpy.cohp.describe import Description
-from lobsterpy.plotting import PlainCohpPlotter, InteractiveCohpPlotter
+from lobsterpy.plotting import PlainCohpPlotter, InteractiveCohpPlotter, IcohpPlotter
 
 CurrentDir = Path(__file__).absolute().parent
 TestDir = CurrentDir / "../../"
@@ -260,6 +261,33 @@ def test_plot_labels(self):
         self.assertEqual(fig.layout.xaxis["title"]["text"], "−COHP")
 
 
+class IcohpPlotterTest(unittest.TestCase):
+
+    def setUp(self):
+
+        self.icohplist_nacl = Icohplist(filename=TestDir / "TestData/NaCl/ICOHPLIST.lobster")
+        self.icohplist_nasi = Icohplist(filename=TestDir / "TestData/NaSi/ICOHPLIST.lobster", are_cobis=True)
+        self.icohplist_k3sb = Icohplist(filename=TestDir / "TestData/K3Sb/ICOHPLIST.lobster.gz", are_coops=True)
+
+    def test_icohp_plotter_labels(self):
+
+        self.icohp_plotter = IcohpPlotter(icohplist=self.icohplist_nacl)
+        fig = self.icohp_plotter.get_plot().gca()
+
+        self.assertEqual(fig.get_ylabel(), "ICOHP (eV)")
+
+        self.icohp_plotter = IcohpPlotter(icohplist=self.icohplist_nasi)
+        fig = self.icohp_plotter.get_plot().gca()
+
+        self.assertEqual(fig.get_ylabel(), "ICOBI")
+
+        self.icohp_plotter = IcohpPlotter(icohplist=self.icohplist_k3sb)
+        fig = self.icohp_plotter.get_plot().gca()
+
+        self.assertEqual(fig.get_ylabel(), "ICOOP")
+        self.assertEqual(fig.get_xlabel(), "Bond lengths (Å)")
+
+
 class TestPlotterExceptions(unittest.TestCase):
     def test_plotter_exception(self):
         with self.assertRaises(Exception) as err:
diff --git a/pyproject.toml b/pyproject.toml
index 88f72d90..728b516e 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -117,6 +117,13 @@ exclude_lines = [
   "show_plot",
 ]
 
+[tool.coverage.run]
+omit = [
+    # omit anything in test directory anywhere
+    "*/test/*",
+    "*/*/test/",
+]
+
 [tool.mypy]
 ignore_missing_imports = true
 namespace_packages = true

From 5af11b1b50ff2dda4b63688027a14dff59229e1d Mon Sep 17 00:00:00 2001
From: anaik <anaik@sv2218.zit.bam.de>
Date: Mon, 21 Aug 2023 13:45:52 +0200
Subject: [PATCH 02/11] temp mypy fix

---
 lobsterpy/plotting/__init__.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lobsterpy/plotting/__init__.py b/lobsterpy/plotting/__init__.py
index 9a942966..39f01e99 100644
--- a/lobsterpy/plotting/__init__.py
+++ b/lobsterpy/plotting/__init__.py
@@ -716,7 +716,7 @@ def get_plot(
 
         icohps = []
         bond_len = []
-        orb_data = {}
+        orb_data = {} # type: ignore
         for label, data in self.icohplist.icohplist.items():
             orb_data.update({label: {}})
             for k, v in data["orbitals"].items():

From fcf7cb0e5d9fed3c563d960e91130a7831bc12a5 Mon Sep 17 00:00:00 2001
From: anaik <anaik@sv2218.zit.bam.de>
Date: Mon, 21 Aug 2023 13:49:56 +0200
Subject: [PATCH 03/11] fix linting errors

---
 lobsterpy/plotting/__init__.py           |  3 ++-
 lobsterpy/plotting/test/test_plotting.py | 15 +++++++++------
 2 files changed, 11 insertions(+), 7 deletions(-)

diff --git a/lobsterpy/plotting/__init__.py b/lobsterpy/plotting/__init__.py
index 39f01e99..14dcbe43 100644
--- a/lobsterpy/plotting/__init__.py
+++ b/lobsterpy/plotting/__init__.py
@@ -685,6 +685,7 @@ def get_plot(
                 automatic determination.
             ylim: Specifies the y-axis limits. Defaults to None for
                 automatic determination.
+
         Returns:
             A matplotlib object.
         """
@@ -716,7 +717,7 @@ def get_plot(
 
         icohps = []
         bond_len = []
-        orb_data = {} # type: ignore
+        orb_data = {}  # type: ignore
         for label, data in self.icohplist.icohplist.items():
             orb_data.update({label: {}})
             for k, v in data["orbitals"].items():
diff --git a/lobsterpy/plotting/test/test_plotting.py b/lobsterpy/plotting/test/test_plotting.py
index 1c594902..db54e992 100644
--- a/lobsterpy/plotting/test/test_plotting.py
+++ b/lobsterpy/plotting/test/test_plotting.py
@@ -262,15 +262,18 @@ def test_plot_labels(self):
 
 
 class IcohpPlotterTest(unittest.TestCase):
-
     def setUp(self):
-
-        self.icohplist_nacl = Icohplist(filename=TestDir / "TestData/NaCl/ICOHPLIST.lobster")
-        self.icohplist_nasi = Icohplist(filename=TestDir / "TestData/NaSi/ICOHPLIST.lobster", are_cobis=True)
-        self.icohplist_k3sb = Icohplist(filename=TestDir / "TestData/K3Sb/ICOHPLIST.lobster.gz", are_coops=True)
+        self.icohplist_nacl = Icohplist(
+            filename=TestDir / "TestData/NaCl/ICOHPLIST.lobster"
+        )
+        self.icohplist_nasi = Icohplist(
+            filename=TestDir / "TestData/NaSi/ICOHPLIST.lobster", are_cobis=True
+        )
+        self.icohplist_k3sb = Icohplist(
+            filename=TestDir / "TestData/K3Sb/ICOHPLIST.lobster.gz", are_coops=True
+        )
 
     def test_icohp_plotter_labels(self):
-
         self.icohp_plotter = IcohpPlotter(icohplist=self.icohplist_nacl)
         fig = self.icohp_plotter.get_plot().gca()
 

From 5c1723eba2b760223f6cf81afd8484b704aac64e Mon Sep 17 00:00:00 2001
From: anaik <anaik@sv2218.zit.bam.de>
Date: Thu, 31 Aug 2023 16:35:00 +0200
Subject: [PATCH 04/11] reorg cli args, icohp plot cli intergration, add tests

---
 lobsterpy/cli.py                         | 79 +++++++++++++++++++-----
 lobsterpy/plotting/__init__.py           | 61 +++++++++++++-----
 lobsterpy/plotting/test/test_plotting.py | 17 +++--
 lobsterpy/test/test_cli.py               |  7 +++
 4 files changed, 126 insertions(+), 38 deletions(-)

diff --git a/lobsterpy/cli.py b/lobsterpy/cli.py
index a1009a05..9a9a914e 100644
--- a/lobsterpy/cli.py
+++ b/lobsterpy/cli.py
@@ -13,10 +13,10 @@
 
 import matplotlib.style
 from pymatgen.electronic_structure.cohp import CompleteCohp
-
+from pymatgen.io.lobster import Icohplist
 from lobsterpy.cohp.analyze import Analysis
 from lobsterpy.cohp.describe import Description
-from lobsterpy.plotting import PlainCohpPlotter, get_style_list, InteractiveCohpPlotter
+from lobsterpy.plotting import PlainCohpPlotter, get_style_list, IcohpPlotter
 
 
 def main() -> None:
@@ -75,6 +75,19 @@ def get_parser() -> argparse.ArgumentParser:
         type=Path,
         help=('path to POTCAR. Default is "POTCAR".'),
     )
+    input_coops_cobis = input_file_group.add_mutually_exclusive_group()
+    input_coops_cobis.add_argument(
+        "--cobis",
+        "--cobi",
+        action="store_true",
+        help="Specifies input file contains COBIS",
+    )
+    input_coops_cobis.add_argument(
+        "--coops",
+        "--coop",
+        action="store_true",
+        help="Specifies input file contains COOPS",
+    )
 
     output_parent = argparse.ArgumentParser(add_help=False)
     output_file_group = output_parent.add_argument_group("Output files")
@@ -271,6 +284,13 @@ def get_parser() -> argparse.ArgumentParser:
         ),
     )
 
+    subparsers.add_parser(
+        "plot-icohps",
+        aliases=["ploticohps"],
+        parents=[input_parent, plotting_parent],
+        help=("Will plot icohps with respect to bond lengths"),
+    )
+
     # Mode for normal plotting (without automatic detection of relevant COHPs)
     plot_parser = subparsers.add_parser(
         "plot",
@@ -284,19 +304,6 @@ def get_parser() -> argparse.ArgumentParser:
         type=int,
         help="List of bond numbers, determining COHPs/COBIs/COOPs to include in plot.",
     )
-    plot_coops_cobis = plot_parser.add_mutually_exclusive_group()
-    plot_coops_cobis.add_argument(
-        "--cobis",
-        "--cobi",
-        action="store_true",
-        help="Plot COBIs",
-    )
-    plot_coops_cobis.add_argument(
-        "--coops",
-        "--coop",
-        action="store_true",
-        help="Plot COOPs",
-    )
     plot_grouping = plot_parser.add_mutually_exclusive_group()
     plot_grouping.add_argument(
         "--summed",
@@ -435,6 +442,8 @@ def run(args):
         "automatic-plot-ia",
         "auto-plot-ia",
         "autoplotia",
+        "plot-icohps",
+        "ploticohps",
     ]:
         style_kwargs = {}
         style_kwargs.update(_user_figsize(args.width, args.height))
@@ -495,7 +504,9 @@ def run(args):
                 filename = filename.with_name(filename.name + ".gz")
             options = {"are_cobis": False, "are_coops": True}
         else:
-            filename = args.cohpcar
+            filename = args.cohpcar.parent / "COHPCAR.lobster"
+            if not filename.exists():
+                filename = filename.with_name(filename.name + ".gz")
             options = {"are_cobis": False, "are_coops": False}
 
         completecohp = CompleteCohp.from_file(
@@ -673,6 +684,42 @@ def run(args):
                     'please use "--overwrite" if you would like to overwrite existing lobster inputs'
                 )
 
+    if args.action in ["plot-icohps", "ploticohps"]:
+        if args.cobis:
+            filename = args.icohplist.parent / "ICOBILIST.lobster"
+            if not filename.exists():
+                filename = filename.with_name(filename.name + ".gz")
+            options = {"are_cobis": True, "are_coops": False}
+        elif args.coops:
+            filename = args.icohplist.parent / "ICOOPLIST.lobster"
+            if not filename.exists():
+                filename = filename.with_name(filename.name + ".gz")
+            options = {"are_cobis": False, "are_coops": True}
+        else:
+            filename = args.icohplist.parent / "ICOHPLIST.lobster"
+            if not filename.exists():
+                filename = filename.with_name(filename.name + ".gz")
+            options = {"are_cobis": False, "are_coops": False}
+
+    icohplist = Icohplist(filename=filename, **options)
+    icohp_plotter = IcohpPlotter(**options)
+
+    icohp_plotter.add_icohps(icohplist=icohplist, label="")
+
+    plt = icohp_plotter.get_plot(xlim=args.xlim, ylim=args.ylim)
+
+    ax = plt.gca()
+    ax.set_title(args.title)
+
+    if not args.hideplot and not args.save_plot:
+        plt.show()
+    elif args.save_plot and not args.hideplot:
+        plt.show()
+        fig = plt.gcf()
+        fig.savefig(args.save_plot)
+    if args.save_plot and args.hideplot:
+        plt.savefig(args.save_plot)
+
 
 if __name__ == "__main__":
     main()
diff --git a/lobsterpy/plotting/__init__.py b/lobsterpy/plotting/__init__.py
index 14dcbe43..8d2e450b 100644
--- a/lobsterpy/plotting/__init__.py
+++ b/lobsterpy/plotting/__init__.py
@@ -656,12 +656,41 @@ class IcohpPlotter:
     Plotter to generate ICOHP or ICOBI or ICOOP vs bond lengths plots
     """
 
-    def __init__(self, icohplist: Icohplist):
+    def __init__(self, are_coops: bool = False, are_cobis: bool = False):
         """
         Args:
-            icohplist: pymatgen icohplist list object
+            are_coops: Switch to indicate that these are ICOOPs, not ICOHPs.
+                Defaults to False for ICOHPs.
+            are_cobis: Switch to indicate that these are ICOBIs, not ICOHPs/COOPs.
+                Defaults to False for ICOHPs.
         """
-        self.icohplist = icohplist
+        self.are_coops = are_coops
+        self.are_cobis = are_cobis
+        self._icohps = {}  # type: ignore
+
+    def add_icohps(self, label, icohplist: Icohplist):
+        """
+        Adds a ICOHPs or ICOBIs or ICOOPS for plotting.
+
+        Args:
+            label: Label for the ICOHPs. Must be unique.
+            icohplist: Icohplist object.
+        """
+        icohps = []
+        bond_len = []
+        orb_data = {}  # type: ignore
+        for bond_label, data in icohplist.icohplist.items():
+            orb_data.update({bond_label: {}})
+            for k, v in data["orbitals"].items():
+                orb_data[bond_label].update({k: sum(v["icohp"].values())})
+            icohps.append(sum(data["icohp"].values()))
+            bond_len.append(data["length"])
+
+        self._icohps[label] = {
+            "icohps": icohps,
+            "bond_lengths": bond_len,
+            "orb_data": orb_data,
+        }
 
     def get_plot(
         self,
@@ -671,6 +700,7 @@ def get_plot(
         marker_style: str = "o",
         xlim: "Tuple[float, float] | None" = None,
         ylim: "Tuple[float, float] | None" = None,
+        plot_negative: bool = True,
     ):
         """
         Get a matplotlib plot showing the COHP or COBI or COOP with respect to bond lengths.
@@ -685,15 +715,16 @@ def get_plot(
                 automatic determination.
             ylim: Specifies the y-axis limits. Defaults to None for
                 automatic determination.
+            plot_negative: Will plot -1*ICOHPs. Works only for ICOHPs
 
         Returns:
             A matplotlib object.
         """
-        if self.icohplist.are_coops and not self.icohplist.are_cobis:
+        if self.are_coops and not self.are_cobis:
             cohp_label = "ICOOP"
-        elif self.icohplist.are_cobis and not self.icohplist.are_coops:
+        elif self.are_cobis and not self.are_coops:
             cohp_label = "ICOBI"
-        elif self.icohplist.are_cobis and self.icohplist.are_coops:
+        elif self.are_cobis and self.are_coops:
             raise ValueError(
                 "Plot data should not contain ICOBI and ICOOP data at same time"
             )
@@ -715,16 +746,14 @@ def get_plot(
         ax.set_ylabel(cohp_label)
         ax.set_xlabel("Bond lengths (\u00c5)")
 
-        icohps = []
-        bond_len = []
-        orb_data = {}  # type: ignore
-        for label, data in self.icohplist.icohplist.items():
-            orb_data.update({label: {}})
-            for k, v in data["orbitals"].items():
-                orb_data[label].update({k: sum(v["icohp"].values())})
-            icohps.append(sum(data["icohp"].values()))
-            bond_len.append(data["length"])
+        for label, data in self._icohps.items():
+            x = data["bond_lengths"]
+            if plot_negative and cohp_label == "ICOHP (eV)":
+                ax.set_ylabel("$-$" + cohp_label)
+                y = [-1 * icohp for icohp in data["icohps"]]
+            else:
+                y = data["icohps"]
 
-        ax.scatter(bond_len, icohps, s=marker_size, marker=marker_style)
+            ax.scatter(x, y, s=marker_size, marker=marker_style, label=label)
 
         return plt
diff --git a/lobsterpy/plotting/test/test_plotting.py b/lobsterpy/plotting/test/test_plotting.py
index db54e992..7aa23c34 100644
--- a/lobsterpy/plotting/test/test_plotting.py
+++ b/lobsterpy/plotting/test/test_plotting.py
@@ -274,19 +274,24 @@ def setUp(self):
         )
 
     def test_icohp_plotter_labels(self):
-        self.icohp_plotter = IcohpPlotter(icohplist=self.icohplist_nacl)
+        self.icohp_plotter = IcohpPlotter()
+        self.icohp_plotter.add_icohps(label="NaCl", icohplist=self.icohplist_nacl)
         fig = self.icohp_plotter.get_plot().gca()
-
         self.assertEqual(fig.get_ylabel(), "ICOHP (eV)")
 
-        self.icohp_plotter = IcohpPlotter(icohplist=self.icohplist_nasi)
-        fig = self.icohp_plotter.get_plot().gca()
+        self.icohp_plotter = IcohpPlotter()
+        self.icohp_plotter.add_icohps(label="NaCl", icohplist=self.icohplist_nacl)
+        fig = self.icohp_plotter.get_plot(plot_negative=True).gca()
+        self.assertEqual(fig.get_ylabel(), "$-$" + "ICOHP (eV)")
 
+        self.icohp_plotter = IcohpPlotter(are_cobis=True)
+        self.icohp_plotter.add_icohps(label="NaSi", icohplist=self.icohplist_nasi)
+        fig = self.icohp_plotter.get_plot().gca()
         self.assertEqual(fig.get_ylabel(), "ICOBI")
 
-        self.icohp_plotter = IcohpPlotter(icohplist=self.icohplist_k3sb)
+        self.icohp_plotter = IcohpPlotter(are_coops=True)
+        self.icohp_plotter.add_icohps(label="K3Sb", icohplist=self.icohplist_k3sb)
         fig = self.icohp_plotter.get_plot().gca()
-
         self.assertEqual(fig.get_ylabel(), "ICOOP")
         self.assertEqual(fig.get_xlabel(), "Bond lengths (Å)")
 
diff --git a/lobsterpy/test/test_cli.py b/lobsterpy/test/test_cli.py
index 618d76db..e31f3914 100644
--- a/lobsterpy/test/test_cli.py
+++ b/lobsterpy/test/test_cli.py
@@ -159,6 +159,13 @@ def test_iaplot_saved(self, tmp_path, inject_mocks, clean_plot):
         run(test)
         self.assert_is_finite_file(plot_path)
 
+    def test_icohpplot_saved(self, tmp_path, inject_mocks, clean_plot):
+        plot_path = tmp_path / "plot.png"
+        args = ["ploticohps", "--hideplot", "--saveplot", str(plot_path)]
+        test = get_parser().parse_args(args)
+        run(test)
+        self.assert_is_finite_file(plot_path)
+
     def test_lobsterin_generation(self, tmp_path):
         os.chdir(TestDir / "TestData/Test_Input_Generation_Empty")
         lobsterinpath = tmp_path / "lobsterin.lobsterpy"

From eab8354d94c392345cb1db37ceee796dac0d4f5f Mon Sep 17 00:00:00 2001
From: anaik <anaik@sv2218.zit.bam.de>
Date: Thu, 31 Aug 2023 16:40:58 +0200
Subject: [PATCH 05/11] update test

---
 lobsterpy/plotting/test/test_plotting.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lobsterpy/plotting/test/test_plotting.py b/lobsterpy/plotting/test/test_plotting.py
index 7aa23c34..ceb68aca 100644
--- a/lobsterpy/plotting/test/test_plotting.py
+++ b/lobsterpy/plotting/test/test_plotting.py
@@ -277,7 +277,7 @@ def test_icohp_plotter_labels(self):
         self.icohp_plotter = IcohpPlotter()
         self.icohp_plotter.add_icohps(label="NaCl", icohplist=self.icohplist_nacl)
         fig = self.icohp_plotter.get_plot().gca()
-        self.assertEqual(fig.get_ylabel(), "ICOHP (eV)")
+        self.assertEqual(fig.get_ylabel(), "$-$" + "ICOHP (eV)")
 
         self.icohp_plotter = IcohpPlotter()
         self.icohp_plotter.add_icohps(label="NaCl", icohplist=self.icohplist_nacl)

From 4dba132c31e7ae66e8211ef68d89ef718a4af87e Mon Sep 17 00:00:00 2001
From: anaik <anaik@sv2218.zit.bam.de>
Date: Thu, 31 Aug 2023 16:58:51 +0200
Subject: [PATCH 06/11] fix cli bug

---
 lobsterpy/cli.py | 30 ++++++++++++++----------------
 1 file changed, 14 insertions(+), 16 deletions(-)

diff --git a/lobsterpy/cli.py b/lobsterpy/cli.py
index 9a9a914e..165eace5 100644
--- a/lobsterpy/cli.py
+++ b/lobsterpy/cli.py
@@ -442,8 +442,6 @@ def run(args):
         "automatic-plot-ia",
         "auto-plot-ia",
         "autoplotia",
-        "plot-icohps",
-        "ploticohps",
     ]:
         style_kwargs = {}
         style_kwargs.update(_user_figsize(args.width, args.height))
@@ -701,24 +699,24 @@ def run(args):
                 filename = filename.with_name(filename.name + ".gz")
             options = {"are_cobis": False, "are_coops": False}
 
-    icohplist = Icohplist(filename=filename, **options)
-    icohp_plotter = IcohpPlotter(**options)
+        icohplist = Icohplist(filename=filename, **options)
+        icohp_plotter = IcohpPlotter(**options)
 
-    icohp_plotter.add_icohps(icohplist=icohplist, label="")
+        icohp_plotter.add_icohps(icohplist=icohplist, label="")
 
-    plt = icohp_plotter.get_plot(xlim=args.xlim, ylim=args.ylim)
+        plt = icohp_plotter.get_plot(xlim=args.xlim, ylim=args.ylim)
 
-    ax = plt.gca()
-    ax.set_title(args.title)
+        ax = plt.gca()
+        ax.set_title(args.title)
 
-    if not args.hideplot and not args.save_plot:
-        plt.show()
-    elif args.save_plot and not args.hideplot:
-        plt.show()
-        fig = plt.gcf()
-        fig.savefig(args.save_plot)
-    if args.save_plot and args.hideplot:
-        plt.savefig(args.save_plot)
+        if not args.hideplot and not args.save_plot:
+            plt.show()
+        elif args.save_plot and not args.hideplot:
+            plt.show()
+            fig = plt.gcf()
+            fig.savefig(args.save_plot)
+        if args.save_plot and args.hideplot:
+            plt.savefig(args.save_plot)
 
 
 if __name__ == "__main__":

From 251f2c9daefe12e6a72c2002170cadcd92268811 Mon Sep 17 00:00:00 2001
From: anaik <anaik@sv2218.zit.bam.de>
Date: Thu, 31 Aug 2023 17:01:25 +0200
Subject: [PATCH 07/11] fix cli

---
 lobsterpy/cli.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/lobsterpy/cli.py b/lobsterpy/cli.py
index 165eace5..bbb0329c 100644
--- a/lobsterpy/cli.py
+++ b/lobsterpy/cli.py
@@ -442,6 +442,8 @@ def run(args):
         "automatic-plot-ia",
         "auto-plot-ia",
         "autoplotia",
+        "plot-icohps",
+        "ploticohps"
     ]:
         style_kwargs = {}
         style_kwargs.update(_user_figsize(args.width, args.height))

From 94d92bb7e37a33b8d12946a122c87e9a25ea0a87 Mon Sep 17 00:00:00 2001
From: anaik <anaik@sv2218.zit.bam.de>
Date: Thu, 31 Aug 2023 17:05:05 +0200
Subject: [PATCH 08/11] fix black

---
 lobsterpy/cli.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lobsterpy/cli.py b/lobsterpy/cli.py
index bbb0329c..0cb2ac32 100644
--- a/lobsterpy/cli.py
+++ b/lobsterpy/cli.py
@@ -443,7 +443,7 @@ def run(args):
         "auto-plot-ia",
         "autoplotia",
         "plot-icohps",
-        "ploticohps"
+        "ploticohps",
     ]:
         style_kwargs = {}
         style_kwargs.update(_user_figsize(args.width, args.height))

From 73b6cdf7827c73f669e110634a1f4ac43073a388 Mon Sep 17 00:00:00 2001
From: anaik <anaik@sv2218.zit.bam.de>
Date: Fri, 1 Sep 2023 17:00:24 +0200
Subject: [PATCH 09/11] update tests and add test files

---
 .../NaCl_comp_range/ICOBILIST.lobster.gz      | Bin 0 -> 8827 bytes
 .../NaCl_comp_range/ICOOPLIST.lobster.gz      | Bin 0 -> 9350 bytes
 lobsterpy/cli.py                              |   4 +-
 lobsterpy/plotting/__init__.py                |  24 +--
 lobsterpy/plotting/test/test_plotting.py      | 138 ++++++++++++++++--
 5 files changed, 144 insertions(+), 22 deletions(-)
 create mode 100644 lobsterpy/TestData/NaCl_comp_range/ICOBILIST.lobster.gz
 create mode 100644 lobsterpy/TestData/NaCl_comp_range/ICOOPLIST.lobster.gz

diff --git a/lobsterpy/TestData/NaCl_comp_range/ICOBILIST.lobster.gz b/lobsterpy/TestData/NaCl_comp_range/ICOBILIST.lobster.gz
new file mode 100644
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GIT binary patch
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diff --git a/lobsterpy/TestData/NaCl_comp_range/ICOOPLIST.lobster.gz b/lobsterpy/TestData/NaCl_comp_range/ICOOPLIST.lobster.gz
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literal 0
HcmV?d00001

diff --git a/lobsterpy/cli.py b/lobsterpy/cli.py
index 0cb2ac32..b847ae7f 100644
--- a/lobsterpy/cli.py
+++ b/lobsterpy/cli.py
@@ -701,10 +701,10 @@ def run(args):
                 filename = filename.with_name(filename.name + ".gz")
             options = {"are_cobis": False, "are_coops": False}
 
-        icohplist = Icohplist(filename=filename, **options)
+        icohpcollection = Icohplist(filename=filename, **options).icohpcollection
         icohp_plotter = IcohpPlotter(**options)
 
-        icohp_plotter.add_icohps(icohplist=icohplist, label="")
+        icohp_plotter.add_icohps(icohpcollection=icohpcollection, label="")
 
         plt = icohp_plotter.get_plot(xlim=args.xlim, ylim=args.ylim)
 
diff --git a/lobsterpy/plotting/__init__.py b/lobsterpy/plotting/__init__.py
index 8d2e450b..2468df18 100644
--- a/lobsterpy/plotting/__init__.py
+++ b/lobsterpy/plotting/__init__.py
@@ -14,7 +14,7 @@
 from pkg_resources import resource_filename
 from pymatgen.io.lobster import Icohplist
 from pymatgen.electronic_structure.core import Spin
-from pymatgen.electronic_structure.cohp import Cohp
+from pymatgen.electronic_structure.cohp import Cohp, IcohpCollection
 from pymatgen.electronic_structure.plotter import CohpPlotter
 import plotly.graph_objs as go
 from lobsterpy.cohp.analyze import Analysis
@@ -668,25 +668,31 @@ def __init__(self, are_coops: bool = False, are_cobis: bool = False):
         self.are_cobis = are_cobis
         self._icohps = {}  # type: ignore
 
-    def add_icohps(self, label, icohplist: Icohplist):
+    def add_icohps(self, label, icohpcollection: IcohpCollection):
         """
         Adds a ICOHPs or ICOBIs or ICOOPS for plotting.
 
         Args:
             label: Label for the ICOHPs. Must be unique.
-            icohplist: Icohplist object.
+            icohpcollection: IcohpCollection object.
         """
         icohps = []
         bond_len = []
+        atom_pairs = []
         orb_data = {}  # type: ignore
-        for bond_label, data in icohplist.icohplist.items():
+        for indx, bond_label in enumerate(icohpcollection._list_labels):
             orb_data.update({bond_label: {}})
-            for k, v in data["orbitals"].items():
+            for k, v in icohpcollection._list_orb_icohp[indx].items():
                 orb_data[bond_label].update({k: sum(v["icohp"].values())})
-            icohps.append(sum(data["icohp"].values()))
-            bond_len.append(data["length"])
+            icohps.append(sum(icohpcollection._list_icohp[indx].values()))
+            bond_len.append(icohpcollection._list_length[indx])
+            atom1 = icohpcollection._list_atom1[indx]
+            atom2 = icohpcollection._list_atom2[indx]
+            atom_pairs.append(atom1 + "-" + atom2)
 
         self._icohps[label] = {
+            "atom_pairs": atom_pairs,
+            "bond_labels": icohpcollection._list_labels,
             "icohps": icohps,
             "bond_lengths": bond_len,
             "orb_data": orb_data,
@@ -731,10 +737,6 @@ def get_plot(
         else:
             cohp_label = "ICOHP (eV)"
 
-        if style is None:
-            style = get_style_list()[0]
-            plt.style.use(style)
-
         if ax is None:
             _, ax = plt.subplots()
 
diff --git a/lobsterpy/plotting/test/test_plotting.py b/lobsterpy/plotting/test/test_plotting.py
index ceb68aca..64c575f6 100644
--- a/lobsterpy/plotting/test/test_plotting.py
+++ b/lobsterpy/plotting/test/test_plotting.py
@@ -264,37 +264,157 @@ def test_plot_labels(self):
 class IcohpPlotterTest(unittest.TestCase):
     def setUp(self):
         self.icohplist_nacl = Icohplist(
-            filename=TestDir / "TestData/NaCl/ICOHPLIST.lobster"
+            filename=TestDir / "TestData/NaCl_comp_range/ICOHPLIST.lobster.gz"
         )
-        self.icohplist_nasi = Icohplist(
-            filename=TestDir / "TestData/NaSi/ICOHPLIST.lobster", are_cobis=True
+        self.icobilist_nacl = Icohplist(
+            filename=TestDir / "TestData/NaCl_comp_range/ICOBILIST.lobster.gz",
+            are_cobis=True,
         )
-        self.icohplist_k3sb = Icohplist(
-            filename=TestDir / "TestData/K3Sb/ICOHPLIST.lobster.gz", are_coops=True
+        self.icooplist_nacl = Icohplist(
+            filename=TestDir / "TestData/NaCl_comp_range/ICOOPLIST.lobster.gz",
+            are_coops=True,
         )
 
     def test_icohp_plotter_labels(self):
         self.icohp_plotter = IcohpPlotter()
-        self.icohp_plotter.add_icohps(label="NaCl", icohplist=self.icohplist_nacl)
+        self.icohp_plotter.add_icohps(
+            label="NaCl", icohpcollection=self.icohplist_nacl.icohpcollection
+        )
         fig = self.icohp_plotter.get_plot().gca()
         self.assertEqual(fig.get_ylabel(), "$-$" + "ICOHP (eV)")
 
         self.icohp_plotter = IcohpPlotter()
-        self.icohp_plotter.add_icohps(label="NaCl", icohplist=self.icohplist_nacl)
+        self.icohp_plotter.add_icohps(
+            label="NaCl_icohp", icohpcollection=self.icohplist_nacl.icohpcollection
+        )
         fig = self.icohp_plotter.get_plot(plot_negative=True).gca()
         self.assertEqual(fig.get_ylabel(), "$-$" + "ICOHP (eV)")
 
         self.icohp_plotter = IcohpPlotter(are_cobis=True)
-        self.icohp_plotter.add_icohps(label="NaSi", icohplist=self.icohplist_nasi)
+        self.icohp_plotter.add_icohps(
+            label="NaCl_icobi", icohpcollection=self.icobilist_nacl.icohpcollection
+        )
         fig = self.icohp_plotter.get_plot().gca()
         self.assertEqual(fig.get_ylabel(), "ICOBI")
 
         self.icohp_plotter = IcohpPlotter(are_coops=True)
-        self.icohp_plotter.add_icohps(label="K3Sb", icohplist=self.icohplist_k3sb)
+        self.icohp_plotter.add_icohps(
+            label="NaCl_icoop", icohpcollection=self.icooplist_nacl.icohpcollection
+        )
         fig = self.icohp_plotter.get_plot().gca()
         self.assertEqual(fig.get_ylabel(), "ICOOP")
         self.assertEqual(fig.get_xlabel(), "Bond lengths (Å)")
 
+    def test_plot_data(self):
+        self.icohp_plotter = IcohpPlotter()
+        self.icohp_plotter.add_icohps(
+            label="NaCl", icohpcollection=self.icohplist_nacl.icohpcollection
+        )
+
+        ref_xdata = self.icohplist_nacl.icohpcollection._list_length
+        ref_ydata = []
+        for ydata in self.icohplist_nacl.icohpcollection._list_icohp:
+            ref_ydata.append(
+                abs(sum(ydata.values()))
+            )  # get absolute icohp values as in plots
+
+        fig_xydata = (
+            self.icohp_plotter.get_plot()
+            .gcf()
+            .axes[0]
+            .get_children()[0]
+            .get_offsets()
+            .data
+        )
+
+        fig_xdata = [row[0] for row in fig_xydata]
+        fig_ydata = [row[1] for row in fig_xydata]
+
+        self.assertListEqual(ref_xdata, fig_xdata)
+        self.assertListEqual(ref_ydata, fig_ydata)
+
+        fig_xydata = self.icohp_plotter.get_plot(xlim=(0, 4), ylim=(0, 6)).gcf()
+
+        fig_x_lims = list(fig_xydata.axes[0].get_children()[5].get_view_interval())
+        fig_y_lims = list(fig_xydata.axes[0].get_children()[6].get_view_interval())
+
+        self.assertListEqual([0, 4], fig_x_lims)
+        self.assertListEqual([0, 6], fig_y_lims)
+
+        # icobi
+
+        self.icobi_plotter = IcohpPlotter(are_cobis=True)
+        self.icobi_plotter.add_icohps(
+            label="NaCl", icohpcollection=self.icobilist_nacl.icohpcollection
+        )
+
+        ref_xdata = self.icobilist_nacl.icohpcollection._list_length
+        ref_ydata = []
+        for ydata in self.icobilist_nacl.icohpcollection._list_icohp:
+            ref_ydata.append(
+                sum(ydata.values())
+            )  # get absolute icohp values as in plots
+
+        fig_xydata = (
+            self.icobi_plotter.get_plot()
+            .gcf()
+            .axes[0]
+            .get_children()[0]
+            .get_offsets()
+            .data
+        )
+
+        fig_xdata = [row[0] for row in fig_xydata]
+        fig_ydata = [row[1] for row in fig_xydata]
+
+        self.assertListEqual(ref_xdata, fig_xdata)
+        self.assertListEqual(ref_ydata, fig_ydata)
+
+        fig_xydata = self.icobi_plotter.get_plot(xlim=(0, 4), ylim=(0, 6)).gcf()
+
+        fig_x_lims = list(fig_xydata.axes[0].get_children()[5].get_view_interval())
+        fig_y_lims = list(fig_xydata.axes[0].get_children()[6].get_view_interval())
+
+        self.assertListEqual([0, 4], fig_x_lims)
+        self.assertListEqual([0, 6], fig_y_lims)
+
+        # icoop
+
+        self.icoop_plotter = IcohpPlotter(are_coops=True)
+        self.icoop_plotter.add_icohps(
+            label="NaCl", icohpcollection=self.icooplist_nacl.icohpcollection
+        )
+
+        ref_xdata = self.icooplist_nacl.icohpcollection._list_length
+        ref_ydata = []
+        for ydata in self.icooplist_nacl.icohpcollection._list_icohp:
+            ref_ydata.append(
+                sum(ydata.values())
+            )  # get absolute icohp values as in plots
+
+        fig_xydata = (
+            self.icoop_plotter.get_plot()
+            .gcf()
+            .axes[0]
+            .get_children()[0]
+            .get_offsets()
+            .data
+        )
+
+        fig_xdata = [row[0] for row in fig_xydata]
+        fig_ydata = [row[1] for row in fig_xydata]
+
+        self.assertListEqual(ref_xdata, fig_xdata)
+        self.assertListEqual(ref_ydata, fig_ydata)
+
+        fig_xydata = self.icoop_plotter.get_plot(xlim=(0, 4), ylim=(0, 6)).gcf()
+
+        fig_x_lims = list(fig_xydata.axes[0].get_children()[5].get_view_interval())
+        fig_y_lims = list(fig_xydata.axes[0].get_children()[6].get_view_interval())
+
+        self.assertListEqual([0, 4], fig_x_lims)
+        self.assertListEqual([0, 6], fig_y_lims)
+
 
 class TestPlotterExceptions(unittest.TestCase):
     def test_plotter_exception(self):

From 2e95104d33df2290fc7529c3be88b12794d0fea7 Mon Sep 17 00:00:00 2001
From: JaGeo <janine.george@bam.de>
Date: Wed, 6 Sep 2023 11:31:20 +0200
Subject: [PATCH 10/11] Fix names of classes and arguments

---
 lobsterpy/cli.py                         | 14 +++++++-------
 lobsterpy/plotting/__init__.py           |  2 +-
 lobsterpy/plotting/test/test_plotting.py | 18 +++++++++---------
 lobsterpy/test/test_cli.py               |  2 +-
 4 files changed, 18 insertions(+), 18 deletions(-)

diff --git a/lobsterpy/cli.py b/lobsterpy/cli.py
index b847ae7f..bbc35180 100644
--- a/lobsterpy/cli.py
+++ b/lobsterpy/cli.py
@@ -16,7 +16,7 @@
 from pymatgen.io.lobster import Icohplist
 from lobsterpy.cohp.analyze import Analysis
 from lobsterpy.cohp.describe import Description
-from lobsterpy.plotting import PlainCohpPlotter, get_style_list, IcohpPlotter
+from lobsterpy.plotting import PlainCohpPlotter, get_style_list, IcohpDistancePlotter
 
 
 def main() -> None:
@@ -285,8 +285,8 @@ def get_parser() -> argparse.ArgumentParser:
     )
 
     subparsers.add_parser(
-        "plot-icohps",
-        aliases=["ploticohps"],
+        "plot-icohps-distances",
+        aliases=["ploticohpsdistances"],
         parents=[input_parent, plotting_parent],
         help=("Will plot icohps with respect to bond lengths"),
     )
@@ -442,8 +442,8 @@ def run(args):
         "automatic-plot-ia",
         "auto-plot-ia",
         "autoplotia",
-        "plot-icohps",
-        "ploticohps",
+        "plot-icohps-distances",
+        "ploticohpsdistances",
     ]:
         style_kwargs = {}
         style_kwargs.update(_user_figsize(args.width, args.height))
@@ -684,7 +684,7 @@ def run(args):
                     'please use "--overwrite" if you would like to overwrite existing lobster inputs'
                 )
 
-    if args.action in ["plot-icohps", "ploticohps"]:
+    if args.action in ["plot-icohps-distances", "ploticohpsdistances"]:
         if args.cobis:
             filename = args.icohplist.parent / "ICOBILIST.lobster"
             if not filename.exists():
@@ -702,7 +702,7 @@ def run(args):
             options = {"are_cobis": False, "are_coops": False}
 
         icohpcollection = Icohplist(filename=filename, **options).icohpcollection
-        icohp_plotter = IcohpPlotter(**options)
+        icohp_plotter = IcohpDistancePlotter(**options)
 
         icohp_plotter.add_icohps(icohpcollection=icohpcollection, label="")
 
diff --git a/lobsterpy/plotting/__init__.py b/lobsterpy/plotting/__init__.py
index 2468df18..74752edc 100644
--- a/lobsterpy/plotting/__init__.py
+++ b/lobsterpy/plotting/__init__.py
@@ -651,7 +651,7 @@ def _insert_number_of_bonds_in_label(
         return label.replace(character, f"{character} {number_of_bonds} x", 1)
 
 
-class IcohpPlotter:
+class IcohpDistancePlotter:
     """
     Plotter to generate ICOHP or ICOBI or ICOOP vs bond lengths plots
     """
diff --git a/lobsterpy/plotting/test/test_plotting.py b/lobsterpy/plotting/test/test_plotting.py
index 64c575f6..d7dfb242 100644
--- a/lobsterpy/plotting/test/test_plotting.py
+++ b/lobsterpy/plotting/test/test_plotting.py
@@ -8,7 +8,7 @@
 from pymatgen.io.lobster import Icohplist
 from lobsterpy.cohp.analyze import Analysis
 from lobsterpy.cohp.describe import Description
-from lobsterpy.plotting import PlainCohpPlotter, InteractiveCohpPlotter, IcohpPlotter
+from lobsterpy.plotting import PlainCohpPlotter, InteractiveCohpPlotter, IcohpDistancePlotter
 
 CurrentDir = Path(__file__).absolute().parent
 TestDir = CurrentDir / "../../"
@@ -261,7 +261,7 @@ def test_plot_labels(self):
         self.assertEqual(fig.layout.xaxis["title"]["text"], "−COHP")
 
 
-class IcohpPlotterTest(unittest.TestCase):
+class IcohpDistancePlotterTest(unittest.TestCase):
     def setUp(self):
         self.icohplist_nacl = Icohplist(
             filename=TestDir / "TestData/NaCl_comp_range/ICOHPLIST.lobster.gz"
@@ -276,28 +276,28 @@ def setUp(self):
         )
 
     def test_icohp_plotter_labels(self):
-        self.icohp_plotter = IcohpPlotter()
+        self.icohp_plotter = IcohpDistancePlotter()
         self.icohp_plotter.add_icohps(
             label="NaCl", icohpcollection=self.icohplist_nacl.icohpcollection
         )
         fig = self.icohp_plotter.get_plot().gca()
         self.assertEqual(fig.get_ylabel(), "$-$" + "ICOHP (eV)")
 
-        self.icohp_plotter = IcohpPlotter()
+        self.icohp_plotter = IcohpDistancePlotter()
         self.icohp_plotter.add_icohps(
             label="NaCl_icohp", icohpcollection=self.icohplist_nacl.icohpcollection
         )
         fig = self.icohp_plotter.get_plot(plot_negative=True).gca()
         self.assertEqual(fig.get_ylabel(), "$-$" + "ICOHP (eV)")
 
-        self.icohp_plotter = IcohpPlotter(are_cobis=True)
+        self.icohp_plotter = IcohpDistancePlotter(are_cobis=True)
         self.icohp_plotter.add_icohps(
             label="NaCl_icobi", icohpcollection=self.icobilist_nacl.icohpcollection
         )
         fig = self.icohp_plotter.get_plot().gca()
         self.assertEqual(fig.get_ylabel(), "ICOBI")
 
-        self.icohp_plotter = IcohpPlotter(are_coops=True)
+        self.icohp_plotter = IcohpDistancePlotter(are_coops=True)
         self.icohp_plotter.add_icohps(
             label="NaCl_icoop", icohpcollection=self.icooplist_nacl.icohpcollection
         )
@@ -306,7 +306,7 @@ def test_icohp_plotter_labels(self):
         self.assertEqual(fig.get_xlabel(), "Bond lengths (Å)")
 
     def test_plot_data(self):
-        self.icohp_plotter = IcohpPlotter()
+        self.icohp_plotter = IcohpDistancePlotter()
         self.icohp_plotter.add_icohps(
             label="NaCl", icohpcollection=self.icohplist_nacl.icohpcollection
         )
@@ -343,7 +343,7 @@ def test_plot_data(self):
 
         # icobi
 
-        self.icobi_plotter = IcohpPlotter(are_cobis=True)
+        self.icobi_plotter = IcohpDistancePlotter(are_cobis=True)
         self.icobi_plotter.add_icohps(
             label="NaCl", icohpcollection=self.icobilist_nacl.icohpcollection
         )
@@ -380,7 +380,7 @@ def test_plot_data(self):
 
         # icoop
 
-        self.icoop_plotter = IcohpPlotter(are_coops=True)
+        self.icoop_plotter = IcohpDistancePlotter(are_coops=True)
         self.icoop_plotter.add_icohps(
             label="NaCl", icohpcollection=self.icooplist_nacl.icohpcollection
         )
diff --git a/lobsterpy/test/test_cli.py b/lobsterpy/test/test_cli.py
index e31f3914..e096e455 100644
--- a/lobsterpy/test/test_cli.py
+++ b/lobsterpy/test/test_cli.py
@@ -161,7 +161,7 @@ def test_iaplot_saved(self, tmp_path, inject_mocks, clean_plot):
 
     def test_icohpplot_saved(self, tmp_path, inject_mocks, clean_plot):
         plot_path = tmp_path / "plot.png"
-        args = ["ploticohps", "--hideplot", "--saveplot", str(plot_path)]
+        args = ["ploticohpsdistances", "--hideplot", "--saveplot", str(plot_path)]
         test = get_parser().parse_args(args)
         run(test)
         self.assert_is_finite_file(plot_path)

From e6de9f355e386f90f5249c92868f635d66153823 Mon Sep 17 00:00:00 2001
From: JaGeo <janine.george@bam.de>
Date: Wed, 6 Sep 2023 11:46:21 +0200
Subject: [PATCH 11/11] fix linting

---
 lobsterpy/plotting/test/test_plotting.py | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/lobsterpy/plotting/test/test_plotting.py b/lobsterpy/plotting/test/test_plotting.py
index d7dfb242..4a3b5f85 100644
--- a/lobsterpy/plotting/test/test_plotting.py
+++ b/lobsterpy/plotting/test/test_plotting.py
@@ -8,7 +8,11 @@
 from pymatgen.io.lobster import Icohplist
 from lobsterpy.cohp.analyze import Analysis
 from lobsterpy.cohp.describe import Description
-from lobsterpy.plotting import PlainCohpPlotter, InteractiveCohpPlotter, IcohpDistancePlotter
+from lobsterpy.plotting import (
+    PlainCohpPlotter,
+    InteractiveCohpPlotter,
+    IcohpDistancePlotter,
+)
 
 CurrentDir = Path(__file__).absolute().parent
 TestDir = CurrentDir / "../../"