181 lines
6.9 KiB
Python
181 lines
6.9 KiB
Python
from pygments.lexer import RegexLexer, words, include, default
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from pygments.token import *
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LAMMPS_COMMANDS = ("angle_coeff", "angle_style", "atom_modify",
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"atom_style", "angle_write", "balance", "bond_coeff",
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"bond_style", "bond_write", "boundary", "clear",
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"comm_modify", "comm_style", "compute_modify",
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"create_atoms", "create_bonds", "create_box",
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"delete_atoms", "delete_bonds", "dielectric",
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"dihedral_coeff", "dihedral_style", "dihedral_write",
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"dimension", "displace_atoms", "dump_modify",
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"dynamical_matrix", "echo", "fitpod",
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"fix_modify", "group2ndx", "hyper",
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"improper_coeff", "improper_style", "include",
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"info", "jump", "kim", "kspace_modify",
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"kspace_style", "label", "labelmap", "lattice",
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"log", "mass", "mdi", "message", "minimize",
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"min_modify", "min_style", "molecule", "ndx2group",
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"neb", "neb/spin", "neighbor", "neigh_modify",
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"newton", "next", "package", "pair_coeff",
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"pair_modify", "pair_style", "pair_write",
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"partition", "plugin", "prd", "print", "processors",
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"python", "quit", "read_data", "read_dump",
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"read_restart", "replicate", "rerun", "reset_atoms",
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"reset_timestep", "restart", "run", "run_style",
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"server", "set", "shell", "special_bonds", "suffix",
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"tad", "temper", "temper/grem", "temper/npt",
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"thermo", "thermo_modify", "thermo_style",
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"third_order", "timer", "timestep", "units",
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"velocity", "write_coeff", "write_data",
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"write_restart")
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#fix ID group-ID style args
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#compute ID group-ID style args
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#dump ID group-ID style N file args
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#region ID style args keyword arg ...
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#variable name style args ...
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#group ID style args
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#uncompute compute-ID
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#undump dump-ID
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#unfix fix-ID
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#write_dump group-ID style file dump-args modify dump_modify-args
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class LAMMPSLexer(RegexLexer):
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name = 'LAMMPS'
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tokens = {
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'root': [
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(r'fix\s+', Keyword, 'fix'),
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(r'fix_modify\s+', Keyword, 'modify_cmd'),
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(r'compute\s+', Keyword, 'compute'),
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(r'compute_modify\s+', Keyword, 'modify_cmd'),
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(r'dump\s+', Keyword, 'dump'),
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(r'dump_modify\s+', Keyword, 'modify_cmd'),
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(r'region\s+', Keyword, 'region'),
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(r'variable\s+', Keyword, 'variable_cmd'),
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(r'group\s+', Keyword, 'group'),
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(r'change_box\s+', Keyword, 'change_box'),
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(r'create_box\s+', Keyword, 'create_box'),
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(r'delete_bonds\s+', Keyword, 'id_cmd'),
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(r'displace_atoms\s+', Keyword, 'id_cmd'),
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(r'dynamical_matrix\s+', Keyword, 'id_cmd'),
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(r'group2ndx\s+', Keyword, 'ndx_cmd'),
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(r'ndx2group\s+', Keyword, 'ndx_cmd'),
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(r'jump\s+', Keyword, 'jump_cmd'),
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(r'label\s+', Keyword, 'jump_cmd'),
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(r'next\s+', Keyword, 'id_cmd'),
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(r'kim\s+', Keyword, 'kim_cmd'),
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(r'uncompute\s+', Keyword, 'id_cmd'),
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(r'unfix\s+', Keyword, 'id_cmd'),
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(r'undump\s+', Keyword, 'id_cmd'),
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(r'velocity\s+', Keyword, 'id_cmd'),
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(r'write_coeff\s+', Keyword, 'ndx_cmd'),
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(r'write_data\s+', Keyword, 'ndx_cmd'),
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(r'write_dump\s+', Keyword, 'write_dump'),
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(r'write_restart\s+', Keyword, 'ndx_cmd'),
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include('conditionals'),
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include('keywords'),
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(r'#.*?\n', Comment),
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(r'"', String, 'string'),
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(r'\'', String, 'single_quote_string'),
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(r'[0-9]+:[0-9]+(:[0-9]+)?', Number),
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(r'[0-9]+(\.[0-9]+)?([eE]\-?[0-9]+)?', Number),
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(r'\$?\(', Name.Variable, 'expression'),
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(r'\$\{', Name.Variable, 'variable'),
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(r'[\w_\.\[\]]+', Name),
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(r'\$[\w_]+', Name.Variable),
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(r'\s+', Whitespace),
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(r'[\+\-\*\^\|\/\!%&=<>]', Operator),
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(r'[\~\.\w_:,@\-\/\\0-9]+', Text),
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],
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'conditionals' : [
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(words(('if','else','elif','then'), suffix=r'\b', prefix=r'\b'), Keyword)
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]
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,
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'keywords' : [
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(words(LAMMPS_COMMANDS, suffix=r'\b', prefix=r'^\s*'), Keyword)
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]
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,
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'variable' : [
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(r'[^\}]+', Name.Variable),
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(r'\}', Name.Variable, '#pop'),
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],
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'string' : [
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(r'[^"]+', String),
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(r'"', String, '#pop'),
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],
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'single_quote_string' : [
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(r'[^\']+', String),
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(r'\'', String, '#pop'),
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],
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'expression' : [
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(r'[^\(\)]+', Name.Variable),
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(r'\(', Name.Variable, 'expression'),
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(r'\)', Name.Variable, '#pop'),
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],
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'modify_cmd' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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default('#pop')
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],
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'fix' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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(r'\s+', Whitespace, 'group_id'),
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default('#pop')
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],
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'compute' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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(r'\s+', Whitespace, 'group_id'),
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default('#pop')
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],
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'dump' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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(r'\s+', Whitespace, 'group_id'),
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default('#pop')
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],
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'region' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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default('#pop')
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],
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'variable_cmd' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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default('#pop')
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],
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'group' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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default('#pop')
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],
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'change_box' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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default('#pop')
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],
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'create_box' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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(r'\s+', Whitespace, 'group_id'),
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default('#pop')
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],
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'id_cmd' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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default('#pop')
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],
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'ndx_cmd' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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default('#pop')
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],
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'jump_cmd' : [
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(r'[\w_\-\.\[\]]+', Literal.String.Char),
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default('#pop')
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],
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'kim_cmd' : [
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(r'[\w_\-\.\[\]]+', Literal.String.Single),
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default('#pop')
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],
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'write_dump' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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default('#pop')
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],
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'group_id' : [
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(r'[\w_\-\.\[\]]+', Name.Variable.Identifier),
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default('#pop:2')
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]
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}
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