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

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2013-11-20 22:41:36 UTC
  • mfrom: (1.2.2)
  • Revision ID: package-import@ubuntu.com-20131120224136-tzx7leh606fqnckm
Tags: 0~20131119.git7162cf0-1
* [e65b919] Imported Upstream version 0~20131119.git7162cf0
* [f7bddd4] Fix some problems, introduced by upstream recently.
* [3616dfc] Use wrap-and-sort script.
* [7e92030] Ignore quilt dir

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Lines of Context:
tools/moltemplate/src/lttree_check.py
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from lttree import *
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from ttree_lex import InputError
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if sys.version < '2.6':
 
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if sys.version < '2.7':
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    raise InputError('Error: Alas, you must upgrade to a newever version of python.')
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                             'You should probably use write_once(\"'+filename+'\") instead.\n')
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    elif ((section_name.lower() == 'bonds by type') or
 
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          (section_name.lower() == 'bonds bytype') or          
 
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          (section_name.lower() == 'bonds_by_type') or
 
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          (section_name.lower() == 'bonds_bytype') or
 
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          (section_name.lower() == 'bondsbytype') or
 
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          (section_name.lower() == 'bond by type') or
 
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          (section_name.lower() == 'bond bytype') or          
 
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          (section_name.lower() == 'bond_by_type') or
 
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          (section_name.lower() == 'bond_bytype') or
 
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          (section_name.lower() == 'bondbytype')):
 
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        if (filename != data_bonds_by_type):
 
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            raise InputError('Probable typo in '+ErrorLeader(srcloc.infile,srcloc.lineno)+'\n\n'+
 
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                             'Output file name (\"'+filename+'\") does not match,\n'
 
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                             'yet overlaps closely with reserved lttree-file name.\n'
 
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                             'Perhaps you meant \"'+data_bonds_by_type+'\"?')
 
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        elif (write_command != 'write_once'):
 
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            raise InputError('Probable typo in '+ErrorLeader(srcloc.infile,srcloc.lineno)+'\n\n'+
 
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                             'When using moltemplate.sh to build LAMMPS input files, you probably do not\n'
 
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                             'want to use the '+write_command+'() command with \"'+filename+'\".\n'
 
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                             'You should probably use write_once(\"'+filename+'\") instead.\n')
 
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    elif ((section_name.lower() == 'angles by type') or
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          (section_name.lower() == 'angles bytype') or          
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                             'want to use the '+write_command+'() command with \"'+filename+'\".\n'
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                             'You should probably use write(\"'+filename+'\") instead.\n')
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    elif ((section_name.lower().find('bond list') == 0) or
 
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          (section_name.lower().find('bonds list') == 0) or
 
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          (section_name.lower().find('bond_list') == 0) or
 
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          (section_name.lower().find('bonds_list') == 0)):
 
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        if (filename != data_bond_list):
 
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            raise InputError('Probable typo in '+ErrorLeader(srcloc.infile,srcloc.lineno)+'\n\n'+
 
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                             'Output file name (\"'+filename+'\") does not match,\n'
 
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                             'yet overlaps closely with reserved lttree-file name.\n'
 
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                             'Perhaps you meant \"'+data_bonds_by_type+'\"?')
 
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        elif (write_command != 'write'):
 
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            raise InputError('Probable typo in '+ErrorLeader(srcloc.infile,srcloc.lineno)+'\n\n'+
 
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                             'When using moltemplate.sh to build LAMMPS input files, you probably do not\n'
 
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                             'want to use the '+write_command+'() command with \"'+filename+'\".\n'
 
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                             'You should probably use write(\"'+filename+'\") instead.\n')
 
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    elif ((section_name.lower() == 'angles') or
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          (section_name.lower() == 'angle')):
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        if (filename != data_angles):
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                                                 g_no_check_msg)
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            elif filename == 'Data Bond List':
 
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                table = TableFromTemplate(command.tmpl_list,
 
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                                          [[' ', '\t', '\r'], '\n'],
 
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                                          [True, False])
 
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                for i in range(0, len(table)):
 
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                    syntax_err = False
 
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                    assert(hasattr(table[i], '__len__'))
 
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                    if len(table[i]) > 0:
 
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                        if ((len(table[i]) > 1) and
 
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                            isinstance(table[i][0], TextBlock) and
 
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                            (len(table[i][0].text) > 0) and
 
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                            (table[i][0].text == '#')):
 
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                            pass
 
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                        else:
 
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                            if len(table[i]) < 3:
 
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                                syntax_err = True
 
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                            table_entry = table[i][0]
 
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                            if (not ((isinstance(table_entry, VarRef)) and
 
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                                     (table_entry.prefix in ('$','${')) and
 
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                                     (ExtractCatName(table_entry.descr_str) == 'bond'))):
 
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                                syntax_err = True
 
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                            if len(table[i]) > 1:
 
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                                table_entry = table[i][1]
 
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                            if (not ((isinstance(table_entry, VarRef)) and
 
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                                     (table_entry.prefix in ('$','${')) and
 
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                                     (ExtractCatName(table_entry.descr_str) == 'atom'))):
 
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                                syntax_err = True
 
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                            if len(table[i]) > 2:
 
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                                table_entry = table[i][2]
 
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                            if (not ((isinstance(table_entry, VarRef)) and
 
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                                     (table_entry.prefix in ('$','${')) and
 
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                                     (ExtractCatName(table_entry.descr_str) == 'atom'))):
 
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                                syntax_err = True
 
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                            if syntax_err:
 
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                                raise InputError('----------------------------------------------------\n'+
 
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                                                 '     Syntax error near '+
 
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                                                 ErrorLeader(table[i][0].srcloc.infile,
 
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                                                             table[i][0].srcloc.lineno)+'\n'
 
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                                                 '     Incorrect "Data Bond List" syntax.\n'+
 
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                                                 'Each lines in this section should have this format:\n\n'
 
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                                                 '  $bond:id $atom:id1 $atom:id2\n'+
 
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                                                 '----------------------------------------------------\n'+
 
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                                                 g_no_check_msg)
 
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            elif filename == 'Data Angles':
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                table = TableFromTemplate(command.tmpl_list,
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                                          [[' ', '\t', '\r'], '\n'],
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                                                      table[i][0].binding))
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            elif filename == 'Data Bonds By Type':
 
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                table = TableFromTemplate(command.tmpl_list,
 
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                                          [[' ','\t','\r'], '\n'],
 
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                                          [True, False])
 
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                for i in range(0, len(table)):
 
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                    if len(table[i]) == 0:
 
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                        pass
 
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                    elif ((len(table[i]) > 1) and
 
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                          isinstance(table[i][0], TextBlock) and
 
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                          (len(table[i][0].text) > 0) and
 
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                          (table[i][0].text == '#')):
 
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                        pass #Ignore comment lines (postprocessing removes them)
 
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                    elif (not ((len(table[i]) >= 3) and
 
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                               isinstance(table[i][0], VarRef) and
 
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                               (table[i][0].prefix in ('@', '@{')) and 
 
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                               (table[i][0].nptr.cat_name == 'bond') and
 
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                               (table[i][0].nptr.cat_node == root_node))):
 
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                        raise InputError('----------------------------------------------------\n'+
 
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                                         '     Syntax error near '+
 
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                                         ErrorLeader(table[i][0].srcloc.infile,
 
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                                                     table[i][0].srcloc.lineno)+'\n'
 
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                                         '     Incorrect \"Data Bonds By Type\" syntax.\n'
 
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                                         '  Each line of the \"Data Bonds By Type\" section should begin with an\n'
 
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                                         '  @bond:type variable followed by 2 atom types.\n'+
 
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                                         '----------------------------------------------------\n'+
 
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                                         g_no_check_msg)
 
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            elif filename == 'Data Angles By Type':
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                table = TableFromTemplate(command.tmpl_list,
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                                          [[' ','\t','\r'], '\n'],
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        else:
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            # if there are more than 2 remaining arguments,
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            problem_args = ['\"'+arg+'\"' for arg in argv[1:]]
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            raise InputError('Syntax Error('+__file__+'):\n\n'
 
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            raise InputError('Syntax Error('+g_program_name+'):\n\n'
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                             '       Unrecognized argument.\n'
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                             '         (That or there is some other problem with the argument list.)\n'
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                             '       The problem begins with these arguments:\n'
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if __name__ == "__main__":
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    g_program_name = 'lttree_check.py'
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    g_version_str  = '0.72'
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    g_date_str     = '2012-12-15'
 
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    g_program_name = __file__.split('/')[-1]  # = 'lttree_check.py'
 
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    g_version_str  = '0.73'
 
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    g_date_str     = '2013-8-06'
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    sys.stderr.write(g_program_name+' v'+g_version_str+' '+g_date_str+'\n')
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    try: