skip in.min.box, ensure that input lists only contain unique entries

This commit is contained in:
Trung Nguyen
2024-10-13 08:21:00 -05:00
parent 3e64966800
commit c735dc7d53
3 changed files with 11 additions and 6 deletions

View File

@ -28,7 +28,7 @@ def generate_list(in_style, example_toplevel, filter_out, output_list):
for style in style_names:
# find in the in. script a line with "pair_style [name]"
if in_style == "pair":
if in_style == "pair" or in_style == "angle" or in_style == "bond" or in_style == "dihedral" or in_style == "improper":
cmd_str = f"grep -rl '{in_style}_style.*{style}' {example_toplevel}/*/in.* "
else:
# find in the in. script a line with "fix ... [name]" (or "compute ... [name]")
@ -37,7 +37,6 @@ def generate_list(in_style, example_toplevel, filter_out, output_list):
p = subprocess.run(cmd_str, shell=True, text=True, capture_output=True)
input_list = p.stdout.split('\n')
input_list = ' '.join(input_list).split()
#print(f"There are {len(input_list)} input files that contains {in_style} {style}")
for input in input_list:
if input != "":
skip = False
@ -47,8 +46,9 @@ def generate_list(in_style, example_toplevel, filter_out, output_list):
break
if skip == True:
continue
else:
output_list.append(input)
else:
if input not in output_list:
output_list.append(input)
if __name__ == "__main__":
@ -80,3 +80,4 @@ if __name__ == "__main__":
for input in input_list:
if input != "":
f.write(f"{input}\n")