--- a/files/test.sh Wed Sep 07 21:52:54 2022 +0300
+++ b/files/test.sh Thu Sep 08 23:26:47 2022 +0300
@@ -1,15 +1,21 @@
#!/bin/bash
python3 ../medchem_fragment_splitter.py -l DB08865.smi -w . -p -x -a
-SVG_DB08865=$(diff DB08865.smi.svg output_DB08865.smi.svg | wc -c)
-if [[ ${SVG_DB08865} -eq '0' ]]; then
- echo "Draw SVG Test 1 OK!"
+if [ -f DB08865.smi.svg ]; then
+ if [ -s DB08865.smi.svg ]; then
+ echo "Draw SVG Test 1 OK!"
+ else
+ echo "Draw SVG Test 1 Error!"
+ fi
else
echo "Draw SVG Test 1 Error!"
fi
-PNG_DB08865=$(diff -s DB08865.smi.png output_DB08865.smi.png)
-if [[ $PNG_DB08865 == *"identical" ]]; then
- echo "Draw PNG Test 2 OK!"
+if [ -f DB08865.smi.png ]; then
+ if [ -s DB08865.smi.png ]; then
+ echo "Draw PNG Test 2 OK!"
+ else
+ echo "Draw PNG Test 2 Error!"
+ fi
else
echo "Draw PNG Test 2 Error!"
fi
@@ -31,8 +37,8 @@
fi
# clean up
-#rm DB08865.smi.svg
-#rm DB08865.smi.png
+rm DB08865.smi.svg
+rm DB08865.smi.png
rm ligand_1_C2H4.pdb
rm ligand_2_C8H8N4O.pdb
rm ligand_3_C5H11N.pdb
@@ -40,17 +46,24 @@
# Test 4-6
python3 ../medchem_fragment_splitter.py -l DB00176.smi -w . -p -x -a
-SVG_DB00176=$(diff DB00176.smi.svg output_DB00176.smi.svg | wc -c)
-if [[ ${SVG_DB00176} -eq '0' ]]; then
- echo "Draw SVG Test 4 OK!"
+if [ -f DB00176.smi.svg ]; then
+ if [ -s DB00176.smi.svg ]; then
+ echo "Draw SVG Test 1 OK!"
+ else
+ echo "Draw SVG Test 1 Error!"
+ fi
else
- echo "Draw SVG Test 4 Error!"
+ echo "Draw SVG Test 1 Error!"
fi
-PNG_DB00176=$(diff -s DB00176.smi.png output_DB00176.smi.png)
-if [[ $PNG_DB00176 == *"identical" ]]; then
- echo "Draw PNG Test 5 OK!"
+
+if [ -f DB00176.smi.png ]; then
+ if [ -s DB00176.smi.png ]; then
+ echo "Draw PNG Test 2 OK!"
+ else
+ echo "Draw PNG Test 2 Error!"
+ fi
else
- echo "Draw PNG Test 5 Error!"
+ echo "Draw PNG Test 2 Error!"
fi
PDB_1_LIGAND=$(diff ligand_1_CH4O.pdb output_ligand_1_CH4O.pdb | wc -c)
@@ -72,8 +85,8 @@
fi
# clean up
-#rm DB00176.smi.svg
-#rm DB00176.smi.png
+rm DB00176.smi.svg
+rm DB00176.smi.png
rm ligand_1_CH4O.pdb
rm ligand_2_C4H10.pdb
rm ligand_3_C7H7NO.pdb