249 lines
9.0 KiB
Python
Executable File
249 lines
9.0 KiB
Python
Executable File
#!/usr/bin/env python3
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import os, re, sys
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from glob import glob
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from argparse import ArgumentParser
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parser = ArgumentParser(prog='check-styles.py',
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description="Check style table completeness")
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parser.add_argument("-v", "--verbose",
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action='store_true',
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help="Enable verbose output")
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parser.add_argument("-d", "--doc",
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help="Path to LAMMPS documentation sources")
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parser.add_argument("-s", "--src",
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help="Path to LAMMPS sources")
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args = parser.parse_args()
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verbose = args.verbose
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src_dir = args.src
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doc_dir = args.doc
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LAMMPS_DIR = os.path.realpath(os.path.join(os.path.dirname(__file__), '..', '..'))
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if not src_dir:
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src_dir = os.path.join(LAMMPS_DIR , 'src')
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if not doc_dir:
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doc_dir = os.path.join(LAMMPS_DIR, 'doc', 'src')
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if not src_dir or not doc_dir:
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parser.print_help()
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sys.exit(1)
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if not os.path.isdir(src_dir):
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sys.exit(f"LAMMPS source path {src_dir} does not exist")
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if not os.path.isdir(doc_dir):
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sys.exit(f"LAMMPS documentation source path {doc_dir} does not exist")
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headers = glob(os.path.join(src_dir, '*', '*.h'))
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headers += glob(os.path.join(src_dir, '*.h'))
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angle = {}
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atom = {}
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body = {}
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bond = {}
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command = {}
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compute = {}
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dihedral = {}
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dump = {}
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fix = {}
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improper = {}
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integrate = {}
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kspace = {}
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minimize = {}
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pair = {}
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reader = {}
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region = {}
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total = 0
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style_pattern = re.compile(r"(.+)Style\((.+),(.+)\)")
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upper = re.compile("[A-Z]+")
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gpu = re.compile("(.+)/gpu$")
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intel = re.compile("(.+)/intel$")
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kokkos = re.compile("(.+)/kk$")
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kokkos_skip = re.compile("(.+)/kk/(host|device)$")
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omp = re.compile("(.+)/omp$")
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opt = re.compile("(.+)/opt$")
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removed = re.compile("(.*)Deprecated$")
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def register_style(styles, name, info):
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if name in styles:
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for key, value in info.items():
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styles[name][key] += value
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else:
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styles[name] = info
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def add_suffix(styles, name):
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suffix = ""
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if styles[name]['gpu']:
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suffix += 'g'
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if styles[name]['intel']:
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suffix += 'i'
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if styles[name]['kokkos']:
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suffix += 'k'
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if styles[name]['omp']:
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suffix += 'o'
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if styles[name]['opt']:
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suffix += 't'
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if suffix:
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return f"{name} ({suffix})"
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else:
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return name
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def check_style(filename, dirname, pattern, styles, name, suffix=False, skip=set()):
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with open(os.path.join(dirname, filename)) as f:
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text = f.read()
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matches = re.findall(pattern, text, re.MULTILINE)
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counter = 0
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for c in styles:
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# known undocumented aliases we need to skip
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if c in skip: continue
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s = c
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if suffix: s = add_suffix(styles, c)
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if not s in matches:
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if not styles[c]['removed']:
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print(f"{name} style entry {s} is missing or incomplete in {filename}")
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counter += 1
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return counter
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for header in headers:
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if verbose: print("Checking ", header)
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with open(header) as f:
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for line in f:
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matches = style_pattern.findall(line)
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for m in matches:
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# skip over internal styles w/o explicit documentation
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style = m[1]
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total += 1
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if upper.match(style):
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continue
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# detect, process, and flag suffix styles:
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info = { 'kokkos': 0, 'gpu': 0, 'intel': 0, \
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'omp': 0, 'opt': 0, 'removed': 0 }
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suffix = kokkos_skip.match(style)
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if suffix:
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continue
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suffix = gpu.match(style)
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if suffix:
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style = suffix.groups()[0]
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info['gpu'] = 1
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suffix = intel.match(style)
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if suffix:
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style = suffix.groups()[0]
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info['intel'] = 1
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suffix = kokkos.match(style)
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if suffix:
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style = suffix.groups()[0]
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info['kokkos'] = 1
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suffix = omp.match(style)
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if suffix:
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style = suffix.groups()[0]
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info['omp'] = 1
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suffix = opt.match(style)
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if suffix:
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style = suffix.groups()[0]
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info['opt'] = 1
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deprecated = removed.match(m[2])
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if deprecated:
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info['removed'] = 1
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# register style and suffix flags
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if m[0] == 'Angle':
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register_style(angle,style,info)
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elif m[0] == 'Atom':
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register_style(atom,style,info)
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elif m[0] == 'Body':
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register_style(body,style,info)
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elif m[0] == 'Bond':
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register_style(bond,style,info)
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elif m[0] == 'Command':
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register_style(command,style,info)
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elif m[0] == 'Compute':
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register_style(compute,style,info)
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elif m[0] == 'Dihedral':
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register_style(dihedral,style,info)
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elif m[0] == 'Dump':
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register_style(dump,style,info)
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elif m[0] == 'Fix':
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register_style(fix,style,info)
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elif m[0] == 'Improper':
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register_style(improper,style,info)
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elif m[0] == 'Integrate':
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register_style(integrate,style,info)
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elif m[0] == 'KSpace':
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register_style(kspace,style,info)
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elif m[0] == 'Minimize':
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register_style(minimize,style,info)
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elif m[0] == 'Pair':
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register_style(pair,style,info)
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elif m[0] == 'Reader':
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register_style(reader,style,info)
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elif m[0] == 'Region':
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register_style(region,style,info)
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else:
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print("Skipping over: ",m)
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print("""Parsed style names w/o suffixes from C++ tree in %s:
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Angle styles: %3d Atom styles: %3d
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Body styles: %3d Bond styles: %3d
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Command styles: %3d Compute styles: %3d
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Dihedral styles: %3d Dump styles: %3d
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Fix styles: %3d Improper styles: %3d
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Integrate styles: %3d Kspace styles: %3d
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Minimize styles: %3d Pair styles: %3d
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Reader styles: %3d Region styles: %3d
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----------------------------------------------------
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Total number of styles (including suffixes): %d""" \
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% (src_dir, len(angle), len(atom), len(body), len(bond), \
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len(command), len(compute), len(dihedral), len(dump), \
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len(fix), len(improper), len(integrate), len(kspace), \
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len(minimize), len(pair), len(reader), len(region), total))
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counter = 0
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counter += check_style('Commands_all.rst', doc_dir, ":doc:`(.+) <.+>`",
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command,'Command',suffix=False)
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counter += check_style('Commands_compute.rst', doc_dir, ":doc:`(.+) <compute.+>`",
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compute,'Compute',suffix=True)
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counter += check_style('compute.rst', doc_dir, ":doc:`(.+) <compute.+>` -",
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compute,'Compute',suffix=False)
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counter += check_style('Commands_fix.rst', doc_dir, ":doc:`(.+) <fix.+>`",
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fix,'Fix',skip=('python', 'NEIGH_HISTORY/omp'),suffix=True)
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counter += check_style('fix.rst', doc_dir, ":doc:`(.+) <fix.+>` -",
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fix,'Fix',skip=('python', 'NEIGH_HISTORY/omp'),suffix=False)
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counter += check_style('Commands_pair.rst', doc_dir, ":doc:`(.+) <pair.+>`",
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pair,'Pair',skip=('meam','lj/sf'),suffix=True)
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counter += check_style('pair_style.rst', doc_dir, ":doc:`(.+) <pair.+>` -",
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pair,'Pair',skip=('meam','lj/sf'),suffix=False)
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counter += check_style('Commands_bond.rst', doc_dir, ":doc:`(.+) <bond.+>`",
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bond,'Bond',suffix=True)
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counter += check_style('bond_style.rst', doc_dir, ":doc:`(.+) <bond.+>` -",
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bond,'Bond',suffix=False)
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counter += check_style('Commands_bond.rst', doc_dir, ":doc:`(.+) <angle.+>`",
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angle,'Angle',suffix=True)
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counter += check_style('angle_style.rst', doc_dir, ":doc:`(.+) <angle.+>` -",
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angle,'Angle',suffix=False)
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counter += check_style('Commands_bond.rst', doc_dir, ":doc:`(.+) <dihedral.+>`",
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dihedral,'Dihedral',suffix=True)
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counter += check_style('dihedral_style.rst', doc_dir, ":doc:`(.+) <dihedral.+>` -",
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dihedral,'Dihedral',suffix=False)
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counter += check_style('Commands_bond.rst', doc_dir, ":doc:`(.+) <improper.+>`",
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improper,'Improper',suffix=True)
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counter += check_style('improper_style.rst', doc_dir, ":doc:`(.+) <improper.+>` -",
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improper,'Improper',suffix=False)
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counter += check_style('Commands_kspace.rst', doc_dir, ":doc:`(.+) <kspace_style>`",
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kspace,'KSpace',suffix=True)
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if counter:
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print("Found %d issue(s) with style lists" % counter)
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