#!/usr/bin/python

import os
import os.path
import glob
import re


amberhome = os.environ["AMBERHOME"]
datdir = os.path.join(amberhome, 'dat/leap/parm')
datfiles = glob.glob("%s/*.dat" % datdir)
frcmods = glob.glob("%s/*.frcmod" % datdir) + glob.glob("%s/frcmod.*" % datdir)

types = {}
pat = re.compile(r"(...?.?)\s+\d+(?:\.\d*)?\s+(?:\d+\.\d+\s+)?(.*)$")

def update_type(f, types, frcmod):
    with open(f) as fh:
        if frcmod:
            for l in fh:
                if l.strip() == "MASS":
                    break
        else:
            _skip = fh.next()
        for l in fh:
            if l.strip() == "":
                break
            parse = pat.match(l)
            if parse:
                atype = parse.group(1)
                comment = parse.group(2).strip()
                vals = types.get(atype, [])
                vals.append((basefn, comment))
                types[atype] = vals
            else:
                print "Failed to parse file:%s line:%s" % (basefn, repr(l))
    return types

for f in datfiles:
    basefn = os.path.basename(f)
    if basefn in ["nucgen.dat"]:
        continue
    types = update_type(f, types, False)

for f in frcmods:
    basefn = os.path.basename(f)
    if basefn in []:
        continue
    types = update_type(f, types, True)

for k in sorted(types.keys()):
    for (fn, comm) in types[k]:
        print "%s\t%s\t%s" % (k, fn, comm)