From 9abe82dc600e470abdc966a98fb759c365c8cd06 Mon Sep 17 00:00:00 2001
From: Patrick Li <pli@pascal.cl.emory.edu>
Date: Thu, 13 Jun 2024 15:43:27 -0400
Subject: [PATCH] debugging test case

---
 autosolvate/tests/{ => archive}/test_AutoMCPB.py             | 0
 autosolvate/tests/{ => archive}/test_advanced_example_1.py   | 0
 autosolvate/tests/{ => archive}/test_autosolvate.py          | 0
 autosolvate/tests/{ => archive}/test_boxgen.py               | 0
 autosolvate/tests/{ => archive}/test_boxgen_metal.py         | 0
 .../tests/{ => archive}/test_boxgen_naphthalene_water.py     | 0
 autosolvate/tests/{ => archive}/test_clustergen.py           | 0
 autosolvate/tests/{ => archive}/test_example_4.py            | 0
 autosolvate/tests/{ => archive}/test_testcase.py             | 0
 autosolvate/tests/{ => archive}/test_tmc_boxgen.py           | 0
 autosolvate/tests/test_multicomponent.py                     | 5 +++--
 11 files changed, 3 insertions(+), 2 deletions(-)
 rename autosolvate/tests/{ => archive}/test_AutoMCPB.py (100%)
 rename autosolvate/tests/{ => archive}/test_advanced_example_1.py (100%)
 rename autosolvate/tests/{ => archive}/test_autosolvate.py (100%)
 rename autosolvate/tests/{ => archive}/test_boxgen.py (100%)
 rename autosolvate/tests/{ => archive}/test_boxgen_metal.py (100%)
 rename autosolvate/tests/{ => archive}/test_boxgen_naphthalene_water.py (100%)
 rename autosolvate/tests/{ => archive}/test_clustergen.py (100%)
 rename autosolvate/tests/{ => archive}/test_example_4.py (100%)
 rename autosolvate/tests/{ => archive}/test_testcase.py (100%)
 rename autosolvate/tests/{ => archive}/test_tmc_boxgen.py (100%)

diff --git a/autosolvate/tests/test_AutoMCPB.py b/autosolvate/tests/archive/test_AutoMCPB.py
similarity index 100%
rename from autosolvate/tests/test_AutoMCPB.py
rename to autosolvate/tests/archive/test_AutoMCPB.py
diff --git a/autosolvate/tests/test_advanced_example_1.py b/autosolvate/tests/archive/test_advanced_example_1.py
similarity index 100%
rename from autosolvate/tests/test_advanced_example_1.py
rename to autosolvate/tests/archive/test_advanced_example_1.py
diff --git a/autosolvate/tests/test_autosolvate.py b/autosolvate/tests/archive/test_autosolvate.py
similarity index 100%
rename from autosolvate/tests/test_autosolvate.py
rename to autosolvate/tests/archive/test_autosolvate.py
diff --git a/autosolvate/tests/test_boxgen.py b/autosolvate/tests/archive/test_boxgen.py
similarity index 100%
rename from autosolvate/tests/test_boxgen.py
rename to autosolvate/tests/archive/test_boxgen.py
diff --git a/autosolvate/tests/test_boxgen_metal.py b/autosolvate/tests/archive/test_boxgen_metal.py
similarity index 100%
rename from autosolvate/tests/test_boxgen_metal.py
rename to autosolvate/tests/archive/test_boxgen_metal.py
diff --git a/autosolvate/tests/test_boxgen_naphthalene_water.py b/autosolvate/tests/archive/test_boxgen_naphthalene_water.py
similarity index 100%
rename from autosolvate/tests/test_boxgen_naphthalene_water.py
rename to autosolvate/tests/archive/test_boxgen_naphthalene_water.py
diff --git a/autosolvate/tests/test_clustergen.py b/autosolvate/tests/archive/test_clustergen.py
similarity index 100%
rename from autosolvate/tests/test_clustergen.py
rename to autosolvate/tests/archive/test_clustergen.py
diff --git a/autosolvate/tests/test_example_4.py b/autosolvate/tests/archive/test_example_4.py
similarity index 100%
rename from autosolvate/tests/test_example_4.py
rename to autosolvate/tests/archive/test_example_4.py
diff --git a/autosolvate/tests/test_testcase.py b/autosolvate/tests/archive/test_testcase.py
similarity index 100%
rename from autosolvate/tests/test_testcase.py
rename to autosolvate/tests/archive/test_testcase.py
diff --git a/autosolvate/tests/test_tmc_boxgen.py b/autosolvate/tests/archive/test_tmc_boxgen.py
similarity index 100%
rename from autosolvate/tests/test_tmc_boxgen.py
rename to autosolvate/tests/archive/test_tmc_boxgen.py
diff --git a/autosolvate/tests/test_multicomponent.py b/autosolvate/tests/test_multicomponent.py
index 27cc644..0c82aed 100644
--- a/autosolvate/tests/test_multicomponent.py
+++ b/autosolvate/tests/test_multicomponent.py
@@ -109,8 +109,9 @@ def test_mixture_builder():
     for res in ("naphthalene_neutral", "acetonitrile", "water"):
         path_exist *= os.path.exists(f"{res}.pdb")
         path_exist *= os.path.exists(f"{res}.lib")
-        path_exist *= os.path.exists(f"{res}.frcmod") 
+        path_exist *= os.path.exists(f"{res}.frcmod")
+        print('DEBUG', res)
+        assert path_exist 
     
-    assert path_exist
     assert hp.compare_pdb("MYBOX.pdb", hp.get_reference_dir(f"multicomponent/MYBOX.pdb"))
     assert hp.compare_inpcrd_prmtop("MYBOX", hp.get_reference_dir(f"multicomponent/MYBOX"))
\ No newline at end of file