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Viewing changes to tools/moltemplate/src/nbody_by_type.py

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
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tools/moltemplate/src/nbody_by_type.py
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from nbody_by_type_lib import GenInteractions_str
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from ttree_lex import *
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from lttree_styles import AtomStyle2ColNames, ColNames2AidAtypeMolid
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import os, inspect # <- Needed to import modules in subdirectories (see below)
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if sys.version < '2.6':
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    raise InputError('Error: Using python '+sys.version+'\n'
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        f.close()
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    g = __import__(src_bond_pattern) #defines g.bond_pattern, g.canonical_order
 
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    try:
 
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        g = __import__(src_bond_pattern) #defines g.bond_pattern, g.canonical_order
 
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    except:
 
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        # If not found, look for it in the "nbody_alternate_symmetry" directory
 
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        #http://stackoverflow.com/questions/279237/import-a-module-from-a-relative-path
 
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        cmd_subfolder = os.path.realpath(os.path.abspath(os.path.join(os.path.split(inspect.getfile( inspect.currentframe() ))[0],"nbody_alternate_symmetry")))
 
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        if cmd_subfolder not in sys.path:
 
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            sys.path.insert(0, cmd_subfolder)
 
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        try:
 
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            g = __import__(src_bond_pattern) #defines g.bond_pattern, g.canonical_order
 
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        except:
 
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            sys.stderr.write('Error: Unable to locate file \"'+src_bond_pattern+'\"\n'
 
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                             '       (Did you mispell the file name?\n'
 
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                             '        Check the \"nbody_alternate_symmetry/\" directory.)\n')
 
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            sys.exit(-1)
 
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    return GenInteractions_lines(lines_atoms,
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if __name__ == "__main__":
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    g_program_name = __file__.split('/')[-1]  # = 'nbody_by_type.py'
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    g_date_str     = '2014-4-07'
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    g_version_str  = '0.16'
 
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    g_date_str     = '2014-12-19'
 
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    g_version_str  = '0.18'
 
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    bond_pattern_module_name = ""
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    #######  Main Code Below: #######
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    sys.stderr.write(g_program_name+' v'+g_version_str+' '+g_date_str+' ')
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                                     '       (See nbody_Dihedrals.py for example.)\n')
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                bond_pattern_module_name = argv[i+1]
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                # If the file name ends in ".py", then strip off this suffix.
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                bond_pattern_module_name=bond_pattern_module_name.rstrip('.py')
 
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                # For some reason, the next line does not work:
 
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                #bond_pattern_module_name=bond_pattern_module_name.rstrip('.py')
 
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                # Do this instead
 
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                pc = bond_pattern_module_name.rfind('.py')
 
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                if pc != -1:
 
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                    bond_pattern_module_name = bond_pattern_module_name[0:pc]
 
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                del(argv[i:i+2])
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            elif argv[i].lower() == '-section':
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        elif len(argv) == 2:
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            section_name = argv[1]
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            section_name_bytype = section_name + ' By Type'
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            bond_pattern_module_name = 'nbody_'+section_name
 
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            # default bond_pattern_module name
 
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            if bond_pattern_module_name == "":  #<--if not set by user
 
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                bond_pattern_module_name = 'nbody_'+section_name
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            del(argv[1:2])
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        else:
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            # if there are more than 2 remaining arguments,