remove pdb and mol2 from precommit modifications

GOMC-WSU · Oct 9, 2023 · 4bf05a3 · 4bf05a3
1 parent cc4c7fa
commit 4bf05a3
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Showing 2 changed files with 15 additions and 15 deletions.
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -14,7 +14,7 @@ repos:
     - id: check-yaml
     - id: end-of-file-fixer
     - id: trailing-whitespace
-      exclude: '^docs/|setup.cfg|\.txt$|\.log$|\.xyz$'
+      exclude: '^docs/|setup.cfg|\.txt$|\.log$|\.xyz$|\.pdb$|\.mol2$'
 - repo: https://github.com/psf/black
   rev: 23.9.1
   hooks:
@@ -27,5 +27,5 @@ repos:
   hooks:
     - id: isort
       name: isort (python)
-      exclude: '^docs/|setup.cfg|\.txt$|\.log$|\.xyz$'
+      exclude: '^docs/|setup.cfg|\.txt$|\.log$|\.xyz$|\.pdb$|\.mol2$'
       args: [--profile=black, --line-length=80]
diff --git a/...utils/files/gaussian_style_output_files/CT_CT_C_OH/input/starting_coords/CT_CT_C_3_OH.pdb b/...utils/files/gaussian_style_output_files/CT_CT_C_OH/input/starting_coords/CT_CT_C_3_OH.pdb
@@ -1,13 +1,13 @@
-CRYST1    9.879    8.003    6.628  90.00  90.00  90.00 P 1
-HETATM    1  C1  RES     1       0.000   0.000   0.000  0.00  0.00           C
-HETATM    2  C2  RES     1      -1.500   0.000   0.000  0.00  0.00           C
-HETATM    3  C3  RES     1      -2.200   1.212   0.000  0.00  0.00           C
-HETATM    4  O1  RES     1       0.700  -1.212  -0.000  0.00  0.00           O
-HETATM    5  O2  RES     1       0.771   1.169   0.000  0.00  0.00           O
-HETATM    6  H1  RES     1      -1.813   1.790   0.713  0.00  0.00           H
-HETATM    7  H2  RES     1      -1.967   1.754  -0.813  0.00  0.00           H
-HETATM    8  H3  RES     1      -1.820  -0.485  -0.814  0.00  0.00           H
-HETATM    9  H4  RES     1      -1.820  -0.485   0.814  0.00  0.00           H
-HETATM   10  H5  RES     1      -3.197   1.252   0.096  0.00  0.00           H
-HETATM   11  H6  RES     1       1.682  -1.022  -0.000  0.00  0.00           H
-END
+CRYST1    9.879    8.003    6.628  90.00  90.00  90.00 P 1            
+HETATM    1  C1  RES     1       0.000   0.000   0.000  0.00  0.00           C  
+HETATM    2  C2  RES     1      -1.500   0.000   0.000  0.00  0.00           C  
+HETATM    3  C3  RES     1      -2.200   1.212   0.000  0.00  0.00           C  
+HETATM    4  O1  RES     1       0.700  -1.212  -0.000  0.00  0.00           O  
+HETATM    5  O2  RES     1       0.771   1.169   0.000  0.00  0.00           O  
+HETATM    6  H1  RES     1      -1.813   1.790   0.713  0.00  0.00           H  
+HETATM    7  H2  RES     1      -1.967   1.754  -0.813  0.00  0.00           H  
+HETATM    8  H3  RES     1      -1.820  -0.485  -0.814  0.00  0.00           H  
+HETATM    9  H4  RES     1      -1.820  -0.485   0.814  0.00  0.00           H  
+HETATM   10  H5  RES     1      -3.197   1.252   0.096  0.00  0.00           H  
+HETATM   11  H6  RES     1       1.682  -1.022  -0.000  0.00  0.00           H  
+END