added gitignore

.gitignore

@@ -0,0 +1,160 @@
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py,cover
+.hypothesis/
+.pytest_cache/
+cover/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+db.sqlite3
+db.sqlite3-journal
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+.pybuilder/
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# IPython
+profile_default/
+ipython_config.py
+
+# pyenv
+#   For a library or package, you might want to ignore these files since the code is
+#   intended to run in multiple environments; otherwise, check them in:
+# .python-version
+
+# pipenv
+#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
+#   However, in case of collaboration, if having platform-specific dependencies or dependencies
+#   having no cross-platform support, pipenv may install dependencies that don't work, or not
+#   install all needed dependencies.
+#Pipfile.lock
+
+# poetry
+#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
+#poetry.lock
+
+# pdm
+#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
+#pdm.lock
+#   pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it
+#   in version control.
+#   https://pdm.fming.dev/#use-with-ide
+.pdm.toml
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule
+celerybeat.pid
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs documentation
+/site
+
+# mypy
+.mypy_cache/
+.dmypy.json
+dmypy.json
+
+# Pyre type checker
+.pyre/
+
+# pytype static type analyzer
+.pytype/
+
+# Cython debug symbols
+cython_debug/
+
+# PyCharm
+#  JetBrains specific template is maintained in a separate JetBrains.gitignore that can
+#  be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+#  and can be added to the global gitignore or merged into this file.  For a more nuclear
+#  option (not recommended) you can uncomment the following to ignore the entire idea folder.
+#.idea/

2d_fourie/analysis.py

@@ -21,10 +21,17 @@ def eval_data(file):
         ax2.plot(percentage, o)
         ax2.plot([0, 1], [o[0], o[-1]], "k:")
         ax.set_title(lab)
+
+    title = ""
     if "ising" in file:
-        fig.suptitle("Ising")
+        title += "Ising "
     else:
-        fig.suptitle("Random")
+        title += "Random "
+    if "rect" in file:
+        title += "rect "
+    if "voro" in file:
+        title += "voro "
+    fig.suptitle(title)
     fig.savefig(f"{file}.png")
 
 
@@ -47,31 +54,36 @@ def parse_lists(out):
 def eval_data_print(file):
     data = np.load(file, allow_pickle=True)
     percentage = data["percentage"]
-    out = parse_lists(data["out"])
-    out = np.array(out)
-    print(out.shape)
-    out = out[[0, 2], :, :]
-    print(out.shape)
-    fig, all_axs = plt.subplots(2, out.shape[0])
+    #out = parse_lists(data["out"])
+    out = []
+    for o in ["out_1","out_2","out_3","out_4"]:
+        out.append(np.array(data[o]))
+    fig, all_axs = plt.subplots(2, len(out))
     axs = all_axs[0, :]
     axs2 = all_axs[1, :]
-    for o, ax, ax2,  lab in zip(out, axs, axs2, ["rutile", "monoclinic", "mono"]):
+    for o, ax, ax2,  lab in zip(out, axs, axs2, ["rutile", "monoclinic", "mono", "rest"]):
         # ax.plot(percentage, o/np.max(o, axis=0))
         ax.plot(percentage, o/o[0])
         # ax.plot(percentage, o)
         o = np.mean(o, axis=1)
-        o = o/o[0]
+        #o = o/o[0]
         ax2.plot(percentage, o)
         ax2.plot([0, 1], [o[0], o[-1]], "k:")
         ax.set_title(lab)
-    if "ising" in file:
-        fig.suptitle("Ising")
-    else:
-        fig.suptitle("Random")
     for ax in all_axs.flatten():
         ax.set_xlabel("Rutile Phase")
         ax.set_ylabel("Normalized Intensity")
 
+    title = ""
+    if "ising" in file:
+        title += "Ising "
+    else:
+        title += "Random "
+    if "rect" in file:
+        title += "rect "
+    if "voro" in file:
+        title += "voro "
+    fig.suptitle(title)
     plt.tight_layout()