refactor zip_top

PolusAI · Jun 3, 2024 · 72e82c5 · 72e82c5
1 parent 23fb84d
commit 72e82c5
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Showing 16 changed files with 11 additions and 74,443 deletions.
diff --git a/utils/pre-process/structure-change/.gitattributes b/utils/pre-process/structure-change/.gitattributes
@@ -0,0 +1,2 @@
+*.top filter=lfs diff=lfs merge=lfs -text
+*.itp filter=lfs diff=lfs merge=lfs -text
diff --git a/utils/zip-top-plugin/.bumpversion.cfg → ...ture-change/zip-top-tool/.bumpversion.cfg b/utils/zip-top-plugin/.bumpversion.cfg → ...ture-change/zip-top-tool/.bumpversion.cfg
diff --git a/utils/zip-top-plugin/.dockerignore → ...ructure-change/zip-top-tool/.dockerignore b/utils/zip-top-plugin/.dockerignore → ...ructure-change/zip-top-tool/.dockerignore
diff --git a/utils/zip-top-plugin/.gitignore → .../structure-change/zip-top-tool/.gitignore b/utils/zip-top-plugin/.gitignore → .../structure-change/zip-top-tool/.gitignore
diff --git a/utils/zip-top-plugin/CHANGELOG.md → ...tructure-change/zip-top-tool/CHANGELOG.md b/utils/zip-top-plugin/CHANGELOG.md → ...tructure-change/zip-top-tool/CHANGELOG.md
diff --git a/utils/zip-top-plugin/README.md → ...s/structure-change/zip-top-tool/README.md b/utils/zip-top-plugin/README.md → ...s/structure-change/zip-top-tool/README.md
diff --git a/utils/zip-top-plugin/VERSION → ...ess/structure-change/zip-top-tool/VERSION b/utils/zip-top-plugin/VERSION → ...ess/structure-change/zip-top-tool/VERSION
diff --git a/utils/zip-top-plugin/ict.yml → ...ess/structure-change/zip-top-tool/ict.yml b/utils/zip-top-plugin/ict.yml → ...ess/structure-change/zip-top-tool/ict.yml
@@ -1,12 +1,12 @@
 specVersion: "0.1.0"
 name: zip_top
 version: 0.1.0
-container: zip-top-plugin
+container: zip-top-tool
 entrypoint:
 title: zip_top
 description: zips a gromacs topology TOP file (and/or itp include file).
-author: Data Scientist
-contact: [email protected]
+author: Brandon Walker, Nazanin Donyapour
+contact: [email protected], [email protected]
 repository:
 documentation:
 citation:

diff --git a/utils/zip-top-plugin/pyproject.toml → ...ucture-change/zip-top-tool/pyproject.toml b/utils/zip-top-plugin/pyproject.toml → ...ucture-change/zip-top-tool/pyproject.toml
diff --git a/...ocess/structure-change/zip-top-tool/tests/ALL.Ala115Pro_step4_p2g_p2g_Protein_chain_A.itp b/...ocess/structure-change/zip-top-tool/tests/ALL.Ala115Pro_step4_p2g_p2g_Protein_chain_A.itp
diff --git a/utils/pre-process/structure-change/zip-top-tool/tests/ALL.Ala115Pro_step8_gio_gio.top b/utils/pre-process/structure-change/zip-top-tool/tests/ALL.Ala115Pro_step8_gio_gio.top
diff --git a/utils/zip-top-plugin/tests/__init__.py → ...ure-change/zip-top-tool/tests/__init__.py b/utils/zip-top-plugin/tests/__init__.py → ...ure-change/zip-top-tool/tests/__init__.py
diff --git a/utils/zip-top-plugin/tests/test_zip_top.py → ...change/zip-top-tool/tests/test_zip_top.py b/utils/zip-top-plugin/tests/test_zip_top.py → ...change/zip-top-tool/tests/test_zip_top.py
diff --git a/utils/zip-top-plugin/zip_top.cwl → ...structure-change/zip-top-tool/zip_top.cwl b/utils/zip-top-plugin/zip_top.cwl → ...structure-change/zip-top-tool/zip_top.cwl
diff --git a/utils/zip-top-plugin/tests/ALL.Ala115Pro_step4_p2g_p2g_Protein_chain_A.itp b/utils/zip-top-plugin/tests/ALL.Ala115Pro_step4_p2g_p2g_Protein_chain_A.itp
diff --git a/utils/zip-top-plugin/tests/ALL.Ala115Pro_step8_gio_gio.top b/utils/zip-top-plugin/tests/ALL.Ala115Pro_step8_gio_gio.top
Original file line number	Diff line number	Diff line change
		@@ -0,0 +1,2 @@
		*.top filter=lfs diff=lfs merge=lfs -text
		*.itp filter=lfs diff=lfs merge=lfs -text