from pygments.lexer import RegexLexer, words from pygments.token import * LAMMPS_COMMANDS = ("angle_coeff", "angle_style", "atom_modify", "atom_style", "balance", "bond_coeff", "bond_style", "bond_write", "boundary", "box", "change_box", "clear", "comm_modify", "comm_style", "compute", "compute_modify", "create_atoms", "create_bonds", "create_box", "delete_atoms", "delete_bonds", "dielectric", "dihedral_coeff", "dihedral_style", "dimension", "displace_atoms", "dump", "dump_modify", "dynamical_matrix", "echo", "fix", "fix_modify", "group", "group2ndx", "hyper", "if", "improper_coeff", "improper_style", "include", "info", "jump", "kim_init", "kim_interactions", "kim_param", "kim_query", "kspace_modify", "kspace_style", "label", "lattice", "log", "mass", "message", "minimize", "min_modify", "min_style", "molecule", "ndx2group", "neb", "neb/spin", "neighbor", "neigh_modify", "newton", "next", "package", "pair_coeff", "pair_modify", "pair_style", "pair_write", "partition", "prd", "print", "processors", "python", "quit", "read_data", "read_dump", "read_restart", "region", "replicate", "rerun", "reset_ids", "reset_timestep", "restart", "run", "run_style", "server", "set", "shell", "special_bonds", "suffix", "tad", "temper", "temper/grem", "temper/npt", "thermo", "thermo_modify", "thermo_style", "then", "third_order", "timer", "timestep", "uncompute", "undump", "unfix", "units", "variable", "velocity", "write_coeff", "write_data", "write_dump", "write_restart") class LAMMPSLexer(RegexLexer): name = 'LAMMPS' tokens = { 'root': [ (words(LAMMPS_COMMANDS, suffix=r'\b', prefix=r'^'), Keyword), (r'#.*?\n', Comment), ('"', String, 'string'), ('\'', String, 'single_quote_string'), (r'[0-9]+(\.[0-9]+)?([eE]\-?[0-9]+)?', Number), ('\$?\(', Name.Variable, 'expression'), ('\$\{', Name.Variable, 'variable'), (r'[\w_\.\[\]]+', Name), (r'\$[\w_]+', Name.Variable), (r'\s+', Whitespace), (r'[\+\-\*\/&=<>]', Operator), ], 'variable' : [ ('[^\}]+', Name.Variable), ('\}', Name.Variable, '#pop'), ], 'string' : [ ('[^"]+', String), ('"', String, '#pop'), ], 'single_quote_string' : [ ('[^\']+', String), ('\'', String, '#pop'), ], 'expression' : [ ('[^\(\)]+', Name.Variable), ('\(', Name.Variable, 'expression'), ('\)', Name.Variable, '#pop'), ] }