add checks for global commands, pair and bonded styles

doc/utils/check-styles.py

@@ -2,10 +2,39 @@
 
 from __future__ import print_function
 from glob import glob
-import os, re
+from argparse import ArgumentParser
+import os, re, sys
 
-headers = glob(os.path.join('..', '..', 'src', '*', '*.h'))
+parser = ArgumentParser(prog='check-styles.py',
-headers += glob(os.path.join('..', '..', 'src', '*.h'))
+                        description="Check style table completeness")
+
+parser.add_argument("-v", "--verbose",
+                    action='store_const',
+                    const=True, default=False,
+                    help="Enable verbose output")
+
+parser.add_argument("-d", "--doc",
+                    help="Path to LAMMPS documentation sources")
+parser.add_argument("-s", "--src",
+                    help="Path to LAMMPS sources")
+
+args = parser.parse_args()
+verbose = args.verbose
+src = args.src
+doc = args.doc
+
+if not args.src or not args.doc:
+  parser.print_help()
+  sys.exit(1)
+
+if not os.path.isdir(src):
+    sys.exit("LAMMPS source path %s does not exist" % src)
+
+if not os.path.isdir(doc):
+    sys.exit("LAMMPS documentation source path %s does not exist" % doc)
+
+headers = glob(os.path.join(src, '*', '*.h'))
+headers += glob(os.path.join(src, '*.h'))
 
 angle = {}
 atom = {}
@@ -44,10 +73,28 @@ def register_style(list,style,info):
     else:
         list[style] = info
 
+def add_suffix(list,style):
+    suffix = ""
+    if list[style]['gpu']:
+        suffix += 'g'
+    if list[style]['intel']:
+        suffix += 'i'
+    if list[style]['kokkos']:
+        suffix += 'k'
+    if list[style]['omp']:
+        suffix += 'o'
+    if list[style]['opt']:
+        suffix += 't'
+    if suffix:
+        return style + ' (' + suffix + ')'
+    else:
+        return style
+        
 for h in headers:
-    # print("Checking ", h)
+    if verbose: print("Checking ", h)
     fp = open(h)
     text = fp.read()
+    fp.close()
     matches = re.findall("(.+)Style\((.+),(.+)\)",text,re.MULTILINE)
     for m in matches:
 
@@ -121,5 +168,78 @@ for h in headers:
             register_style(region,style,info)
         else:
             print("Skipping over: ",m)
-fp.close()
+
+
+if verbose:
+    print("""
+Parsed styles from %s:
+  Angle styles:     %3d
+  Atom styles:      %3d
+  Body styles:      %3d
+  Bond styles:      %3d
+  Command styles:   %3d
+  Compute styles:   %3d
+  Dihedral styles:  %3d
+  Dump styles:      %3d
+  Fix styles:       %3d
+  Improper styles:  %3d
+  Integrate styles: %3d
+  Kspace styles:    %3d
+  Minimize styles:  %3d
+  Pair styles:      %3d
+  Reader styles:    %3d
+  Region styles:    %3d
+""" % (src, len(angle), len(atom), len(body), len(bond),     \
+       len(command), len(compute), len(dihedral), len(dump), \
+       len(fix), len(improper), len(integrate), len(kspace), \
+       len(minimize), len(pair), len(reader), len(region)))
+
+
+# check main commands lists
+f = os.path.join(doc, 'Commands_all.rst')
+fp = open(f)
+text = fp.read()
+fp.close()
+matches = re.findall(":doc:`(.+) <.+>`",text,re.MULTILINE)
+for c in command.keys():
+    if not c in matches:
+        print("Command %s is missing in Commands_all.rst" % c)
+
+
+f = os.path.join(doc, 'Commands_pair.rst')
+fp = open(f)
+text = fp.read()
+fp.close()
+matches = re.findall(":doc:`(.+) <pair.+>`",text,re.MULTILINE)
+for c in pair.keys():
+    # known undocumented aliases we need to skip
+    if c in ('meam','lj/sf'): continue
+    if not add_suffix(pair,c) in matches:
+        if not pair[c]['removed']:
+            print("Pair style entry %s is missing or" % c,
+                  "incomplete in Commands_pair.rst")
+
+f = os.path.join(doc, 'Commands_bond.rst')
+fp = open(f)
+text = fp.read()
+fp.close()
+matches = re.findall(":doc:`(.+) <bond.+>`",text,re.MULTILINE)
+for c in bond.keys():
+    if not add_suffix(bond,c) in matches:
+        print("Bond style entry %s is missing or incomplete in Commands_bond.rst" % c)
+
+matches = re.findall(":doc:`(.+) <angle.+>`",text,re.MULTILINE)
+for c in angle.keys():
+    if not add_suffix(angle,c) in matches:
+        print("Angle style entry %s is missing or incomplete in Commands_bond.rst" % c)
+
+matches = re.findall(":doc:`(.+) <dihedral.+>`",text,re.MULTILINE)
+for c in dihedral.keys():
+    if not add_suffix(dihedral,c) in matches:
+        print("Dihedral style entry %s is missing or incomplete in Commands_bond.rst" % c)
+
+matches = re.findall(":doc:`(.+) <improper.+>`",text,re.MULTILINE)
+for c in improper.keys():
+    if not add_suffix(improper,c) in matches:
+        print("Improper style entry %s is missing or incomplete in Commands_bond.rst" % c)