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How to use the pycalphad.io.tdb.TCCommand function in pycalphad

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github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
def _tdb_grammar(): #pylint: disable=R0914
    """
    Convenience function for getting the pyparsing grammar of a TDB file.
    """
    int_number = Word(nums).setParseAction(lambda t: [int(t[0])])
    # symbol name, e.g., phase name, function name
    symbol_name = Word(alphanums+'_:', min=1)
    ref_phase_name = symbol_name = Word(alphanums+'_-:()/', min=1)
    # species name, e.g., CO2, AL, FE3+
    species_name = Word(alphanums+'+-*/_.', min=1) + Optional(Suppress('%'))
    # constituent arrays are colon-delimited
    # each subarray can be comma- or space-delimited
    constituent_array = Group(delimitedList(Group(OneOrMore(Optional(Suppress(',')) + species_name)), ':'))
    param_types = MatchFirst([TCCommand(param_type) for param_type in TDB_PARAM_TYPES])
    # Let sympy do heavy arithmetic / algebra parsing for us
    # a convenience function will handle the piecewise details
    func_expr = (float_number | ZeroOrMore(',').setParseAction(lambda t: 0.01)) + OneOrMore(SkipTo(';') \
        + Suppress(';') + ZeroOrMore(Suppress(',')) + Optional(float_number) + \
        Suppress(Word('YNyn', exact=1) | White()))
    # ELEMENT
    cmd_element = TCCommand('ELEMENT') + Word(alphas+'/-', min=1, max=2) + ref_phase_name + \
        float_number + float_number + float_number + LineEnd()
    # SPECIES
    cmd_species = TCCommand('SPECIES') + species_name + chemical_formula + LineEnd()
    # TYPE_DEFINITION
    cmd_typedef = TCCommand('TYPE_DEFINITION') + \
        Suppress(White()) + CharsNotIn(' !', exact=1) + SkipTo(LineEnd())
    # FUNCTION
    cmd_function = TCCommand('FUNCTION') + symbol_name + \
        func_expr.setParseAction(_make_piecewise_ast)
github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
Suppress(White()) + CharsNotIn(' !', exact=1) + SkipTo(LineEnd())
    # FUNCTION
    cmd_function = TCCommand('FUNCTION') + symbol_name + \
        func_expr.setParseAction(_make_piecewise_ast)
    # ASSESSED_SYSTEMS
    cmd_ass_sys = TCCommand('ASSESSED_SYSTEMS') + SkipTo(LineEnd())
    # DEFINE_SYSTEM_DEFAULT
    cmd_defsysdef = TCCommand('DEFINE_SYSTEM_DEFAULT') + SkipTo(LineEnd())
    # DEFAULT_COMMAND
    cmd_defcmd = TCCommand('DEFAULT_COMMAND') + SkipTo(LineEnd())
    # DATABASE_INFO
    cmd_database_info = TCCommand('DATABASE_INFO') + SkipTo(LineEnd())
    # VERSION_DATE
    cmd_version_date = TCCommand('VERSION_DATE') + SkipTo(LineEnd())
    # REFERENCE_FILE
    cmd_reference_file = TCCommand('REFERENCE_FILE') + SkipTo(LineEnd())
    # ADD_REFERENCES
    cmd_add_ref = TCCommand('ADD_REFERENCES') + SkipTo(LineEnd())
    # LIST_OF_REFERENCES
    cmd_lor = TCCommand('LIST_OF_REFERENCES') + SkipTo(LineEnd())
    # TEMPERATURE_LIMITS
    cmd_templim = TCCommand('TEMPERATURE_LIMITS') + SkipTo(LineEnd())
    # PHASE
    cmd_phase = TCCommand('PHASE') + symbol_name + \
        Suppress(White()) + CharsNotIn(' !', min=1) + Suppress(White()) + \
        Suppress(int_number) + Group(OneOrMore(float_number)) + LineEnd()
    # CONSTITUENT
    cmd_constituent = TCCommand('CONSTITUENT') + symbol_name + \
        Suppress(White()) + Suppress(':') + constituent_array + \
        Suppress(':') + LineEnd()
    # PARAMETER
    cmd_parameter = TCCommand('PARAMETER') + param_types + \
github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
# TYPE_DEFINITION
    cmd_typedef = TCCommand('TYPE_DEFINITION') + \
        Suppress(White()) + CharsNotIn(' !', exact=1) + SkipTo(LineEnd())
    # FUNCTION
    cmd_function = TCCommand('FUNCTION') + symbol_name + \
        func_expr.setParseAction(_make_piecewise_ast)
    # ASSESSED_SYSTEMS
    cmd_ass_sys = TCCommand('ASSESSED_SYSTEMS') + SkipTo(LineEnd())
    # DEFINE_SYSTEM_DEFAULT
    cmd_defsysdef = TCCommand('DEFINE_SYSTEM_DEFAULT') + SkipTo(LineEnd())
    # DEFAULT_COMMAND
    cmd_defcmd = TCCommand('DEFAULT_COMMAND') + SkipTo(LineEnd())
    # LIST_OF_REFERENCES
    cmd_lor = TCCommand('LIST_OF_REFERENCES') + SkipTo(LineEnd())
    # PHASE
    cmd_phase = TCCommand('PHASE') + symbol_name + \
        Suppress(White()) + CharsNotIn(' !', min=1) + Suppress(White()) + \
        Suppress(int_number) + Group(OneOrMore(float_number)) + LineEnd()
    # CONSTITUENT
    cmd_constituent = TCCommand('CONSTITUENT') + symbol_name + \
        Suppress(White()) + Suppress(':') + constituent_array + \
        Suppress(':') + LineEnd()
    # PARAMETER
    cmd_parameter = TCCommand('PARAMETER') + param_types + \
        Suppress('(') + symbol_name + \
        Optional(Suppress('&') + Word(alphas+'/-', min=1, max=2), default=None) + \
        Suppress(',') + constituent_array + \
        Optional(Suppress(';') + int_number, default=0) + \
        Suppress(')') + func_expr.setParseAction(_make_piecewise_ast)
    # Now combine the grammar together
    all_commands = cmd_element | \
                    cmd_species | \
github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
cmd_element = TCCommand('ELEMENT') + Word(alphas+'/-', min=1, max=2) + ref_phase_name + \
        float_number + float_number + float_number + LineEnd()
    # SPECIES
    cmd_species = TCCommand('SPECIES') + species_name + chemical_formula + LineEnd()
    # TYPE_DEFINITION
    cmd_typedef = TCCommand('TYPE_DEFINITION') + \
        Suppress(White()) + CharsNotIn(' !', exact=1) + SkipTo(LineEnd())
    # FUNCTION
    cmd_function = TCCommand('FUNCTION') + symbol_name + \
        func_expr.setParseAction(_make_piecewise_ast)
    # ASSESSED_SYSTEMS
    cmd_ass_sys = TCCommand('ASSESSED_SYSTEMS') + SkipTo(LineEnd())
    # DEFINE_SYSTEM_DEFAULT
    cmd_defsysdef = TCCommand('DEFINE_SYSTEM_DEFAULT') + SkipTo(LineEnd())
    # DEFAULT_COMMAND
    cmd_defcmd = TCCommand('DEFAULT_COMMAND') + SkipTo(LineEnd())
    # DATABASE_INFO
    cmd_database_info = TCCommand('DATABASE_INFO') + SkipTo(LineEnd())
    # VERSION_DATE
    cmd_version_date = TCCommand('VERSION_DATE') + SkipTo(LineEnd())
    # REFERENCE_FILE
    cmd_reference_file = TCCommand('REFERENCE_FILE') + SkipTo(LineEnd())
    # ADD_REFERENCES
    cmd_add_ref = TCCommand('ADD_REFERENCES') + SkipTo(LineEnd())
    # LIST_OF_REFERENCES
    cmd_lor = TCCommand('LIST_OF_REFERENCES') + SkipTo(LineEnd())
    # TEMPERATURE_LIMITS
    cmd_templim = TCCommand('TEMPERATURE_LIMITS') + SkipTo(LineEnd())
    # PHASE
    cmd_phase = TCCommand('PHASE') + symbol_name + \
        Suppress(White()) + CharsNotIn(' !', min=1) + Suppress(White()) + \
        Suppress(int_number) + Group(OneOrMore(float_number)) + LineEnd()
github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
# TYPE_DEFINITION
    cmd_typedef = TCCommand('TYPE_DEFINITION') + \
        Suppress(White()) + CharsNotIn(' !', exact=1) + SkipTo(LineEnd())
    # FUNCTION
    cmd_function = TCCommand('FUNCTION') + symbol_name + \
        func_expr.setParseAction(_make_piecewise_ast)
    # ASSESSED_SYSTEMS
    cmd_ass_sys = TCCommand('ASSESSED_SYSTEMS') + SkipTo(LineEnd())
    # DEFINE_SYSTEM_DEFAULT
    cmd_defsysdef = TCCommand('DEFINE_SYSTEM_DEFAULT') + SkipTo(LineEnd())
    # DEFAULT_COMMAND
    cmd_defcmd = TCCommand('DEFAULT_COMMAND') + SkipTo(LineEnd())
    # DATABASE_INFO
    cmd_database_info = TCCommand('DATABASE_INFO') + SkipTo(LineEnd())
    # VERSION_DATE
    cmd_version_date = TCCommand('VERSION_DATE') + SkipTo(LineEnd())
    # REFERENCE_FILE
    cmd_reference_file = TCCommand('REFERENCE_FILE') + SkipTo(LineEnd())
    # ADD_REFERENCES
    cmd_add_ref = TCCommand('ADD_REFERENCES') + SkipTo(LineEnd())
    # LIST_OF_REFERENCES
    cmd_lor = TCCommand('LIST_OF_REFERENCES') + SkipTo(LineEnd())
    # TEMPERATURE_LIMITS
    cmd_templim = TCCommand('TEMPERATURE_LIMITS') + SkipTo(LineEnd())
    # PHASE
    cmd_phase = TCCommand('PHASE') + symbol_name + \
        Suppress(White()) + CharsNotIn(' !', min=1) + Suppress(White()) + \
        Suppress(int_number) + Group(OneOrMore(float_number)) + LineEnd()
    # CONSTITUENT
    cmd_constituent = TCCommand('CONSTITUENT') + symbol_name + \
        Suppress(White()) + Suppress(':') + constituent_array + \
        Suppress(':') + LineEnd()
github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
# ASSESSED_SYSTEMS
    cmd_ass_sys = TCCommand('ASSESSED_SYSTEMS') + SkipTo(LineEnd())
    # DEFINE_SYSTEM_DEFAULT
    cmd_defsysdef = TCCommand('DEFINE_SYSTEM_DEFAULT') + SkipTo(LineEnd())
    # DEFAULT_COMMAND
    cmd_defcmd = TCCommand('DEFAULT_COMMAND') + SkipTo(LineEnd())
    # DATABASE_INFO
    cmd_database_info = TCCommand('DATABASE_INFO') + SkipTo(LineEnd())
    # VERSION_DATE
    cmd_version_date = TCCommand('VERSION_DATE') + SkipTo(LineEnd())
    # REFERENCE_FILE
    cmd_reference_file = TCCommand('REFERENCE_FILE') + SkipTo(LineEnd())
    # ADD_REFERENCES
    cmd_add_ref = TCCommand('ADD_REFERENCES') + SkipTo(LineEnd())
    # LIST_OF_REFERENCES
    cmd_lor = TCCommand('LIST_OF_REFERENCES') + SkipTo(LineEnd())
    # TEMPERATURE_LIMITS
    cmd_templim = TCCommand('TEMPERATURE_LIMITS') + SkipTo(LineEnd())
    # PHASE
    cmd_phase = TCCommand('PHASE') + symbol_name + \
        Suppress(White()) + CharsNotIn(' !', min=1) + Suppress(White()) + \
        Suppress(int_number) + Group(OneOrMore(float_number)) + LineEnd()
    # CONSTITUENT
    cmd_constituent = TCCommand('CONSTITUENT') + symbol_name + \
        Suppress(White()) + Suppress(':') + constituent_array + \
        Suppress(':') + LineEnd()
    # PARAMETER
    cmd_parameter = TCCommand('PARAMETER') + param_types + \
        Suppress('(') + symbol_name + \
        Optional(Suppress('&') + Word(alphas+'/-', min=1, max=2), default=None) + \
        Suppress(',') + constituent_array + \
        Optional(Suppress(';') + int_number, default=0) + \
github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
# symbol name, e.g., phase name, function name
    symbol_name = Word(alphanums+'_:', min=1)
    ref_phase_name = symbol_name = Word(alphanums+'_:()/', min=1)
    # species name, e.g., CO2, AL, FE3+
    species_name = Word(alphanums+'+-*/_.', min=1) + Optional(Suppress('%'))
    # constituent arrays are colon-delimited
    # each subarray can be comma- or space-delimited
    constituent_array = Group(delimitedList(Group(OneOrMore(Optional(Suppress(',')) + species_name)), ':'))
    param_types = MatchFirst([TCCommand(param_type) for param_type in TDB_PARAM_TYPES])
    # Let sympy do heavy arithmetic / algebra parsing for us
    # a convenience function will handle the piecewise details
    func_expr = Optional(float_number) + OneOrMore(SkipTo(';') \
        + Suppress(';') + ZeroOrMore(Suppress(',')) + Optional(float_number) + \
        Suppress(Word('YNyn', exact=1) | White()))
    # ELEMENT
    cmd_element = TCCommand('ELEMENT') + Word(alphas+'/-', min=1, max=2) + Optional(Suppress(ref_phase_name)) + \
        Optional(Suppress(OneOrMore(float_number))) + LineEnd()
    # SPECIES
    cmd_species = TCCommand('SPECIES') + species_name + Group(OneOrMore(Word(alphas, min=1, max=2) + Optional(float_number, default=1.0))) + Optional(Suppress('/') + pos_neg_int_number) + LineEnd()
    # TYPE_DEFINITION
    cmd_typedef = TCCommand('TYPE_DEFINITION') + \
        Suppress(White()) + CharsNotIn(' !', exact=1) + SkipTo(LineEnd())
    # FUNCTION
    cmd_function = TCCommand('FUNCTION') + symbol_name + \
        func_expr.setParseAction(_make_piecewise_ast)
    # ASSESSED_SYSTEMS
    cmd_ass_sys = TCCommand('ASSESSED_SYSTEMS') + SkipTo(LineEnd())
    # DEFINE_SYSTEM_DEFAULT
    cmd_defsysdef = TCCommand('DEFINE_SYSTEM_DEFAULT') + SkipTo(LineEnd())
    # DEFAULT_COMMAND
    cmd_defcmd = TCCommand('DEFAULT_COMMAND') + SkipTo(LineEnd())
    # LIST_OF_REFERENCES
github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
# DEFAULT_COMMAND
    cmd_defcmd = TCCommand('DEFAULT_COMMAND') + SkipTo(LineEnd())
    # DATABASE_INFO
    cmd_database_info = TCCommand('DATABASE_INFO') + SkipTo(LineEnd())
    # VERSION_DATE
    cmd_version_date = TCCommand('VERSION_DATE') + SkipTo(LineEnd())
    # REFERENCE_FILE
    cmd_reference_file = TCCommand('REFERENCE_FILE') + SkipTo(LineEnd())
    # ADD_REFERENCES
    cmd_add_ref = TCCommand('ADD_REFERENCES') + SkipTo(LineEnd())
    # LIST_OF_REFERENCES
    cmd_lor = TCCommand('LIST_OF_REFERENCES') + SkipTo(LineEnd())
    # TEMPERATURE_LIMITS
    cmd_templim = TCCommand('TEMPERATURE_LIMITS') + SkipTo(LineEnd())
    # PHASE
    cmd_phase = TCCommand('PHASE') + symbol_name + \
        Suppress(White()) + CharsNotIn(' !', min=1) + Suppress(White()) + \
        Suppress(int_number) + Group(OneOrMore(float_number)) + LineEnd()
    # CONSTITUENT
    cmd_constituent = TCCommand('CONSTITUENT') + symbol_name + \
        Suppress(White()) + Suppress(':') + constituent_array + \
        Suppress(':') + LineEnd()
    # PARAMETER
    cmd_parameter = TCCommand('PARAMETER') + param_types + \
        Suppress('(') + symbol_name + \
        Optional(Suppress('&') + Word(alphas+'/-', min=1, max=2), default=None) + \
        Suppress(',') + constituent_array + \
        Optional(Suppress(';') + int_number, default=0) + \
        Suppress(')') + func_expr.setParseAction(_make_piecewise_ast)
    # Now combine the grammar together
    all_commands = cmd_element | \
                    cmd_species | \
github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
func_expr = (float_number | ZeroOrMore(',').setParseAction(lambda t: 0.01)) + OneOrMore(SkipTo(';') \
        + Suppress(';') + ZeroOrMore(Suppress(',')) + Optional(float_number) + \
        Suppress(Word('YNyn', exact=1) | White()))
    # ELEMENT
    cmd_element = TCCommand('ELEMENT') + Word(alphas+'/-', min=1, max=2) + ref_phase_name + \
        float_number + float_number + float_number + LineEnd()
    # SPECIES
    cmd_species = TCCommand('SPECIES') + species_name + chemical_formula + LineEnd()
    # TYPE_DEFINITION
    cmd_typedef = TCCommand('TYPE_DEFINITION') + \
        Suppress(White()) + CharsNotIn(' !', exact=1) + SkipTo(LineEnd())
    # FUNCTION
    cmd_function = TCCommand('FUNCTION') + symbol_name + \
        func_expr.setParseAction(_make_piecewise_ast)
    # ASSESSED_SYSTEMS
    cmd_ass_sys = TCCommand('ASSESSED_SYSTEMS') + SkipTo(LineEnd())
    # DEFINE_SYSTEM_DEFAULT
    cmd_defsysdef = TCCommand('DEFINE_SYSTEM_DEFAULT') + SkipTo(LineEnd())
    # DEFAULT_COMMAND
    cmd_defcmd = TCCommand('DEFAULT_COMMAND') + SkipTo(LineEnd())
    # DATABASE_INFO
    cmd_database_info = TCCommand('DATABASE_INFO') + SkipTo(LineEnd())
    # VERSION_DATE
    cmd_version_date = TCCommand('VERSION_DATE') + SkipTo(LineEnd())
    # REFERENCE_FILE
    cmd_reference_file = TCCommand('REFERENCE_FILE') + SkipTo(LineEnd())
    # ADD_REFERENCES
    cmd_add_ref = TCCommand('ADD_REFERENCES') + SkipTo(LineEnd())
    # LIST_OF_REFERENCES
    cmd_lor = TCCommand('LIST_OF_REFERENCES') + SkipTo(LineEnd())
    # TEMPERATURE_LIMITS
    cmd_templim = TCCommand('TEMPERATURE_LIMITS') + SkipTo(LineEnd())
github pycalphad / pycalphad / pycalphad / io / tdb.py View on Github external
# species name, e.g., CO2, AL, FE3+
    species_name = Word(alphanums+'+-*/_.', min=1) + Optional(Suppress('%'))
    # constituent arrays are colon-delimited
    # each subarray can be comma- or space-delimited
    constituent_array = Group(delimitedList(Group(OneOrMore(Optional(Suppress(',')) + species_name)), ':'))
    param_types = MatchFirst([TCCommand(param_type) for param_type in TDB_PARAM_TYPES])
    # Let sympy do heavy arithmetic / algebra parsing for us
    # a convenience function will handle the piecewise details
    func_expr = (float_number | ZeroOrMore(',').setParseAction(lambda t: 0.01)) + OneOrMore(SkipTo(';') \
        + Suppress(';') + ZeroOrMore(Suppress(',')) + Optional(float_number) + \
        Suppress(Word('YNyn', exact=1) | White()))
    # ELEMENT
    cmd_element = TCCommand('ELEMENT') + Word(alphas+'/-', min=1, max=2) + ref_phase_name + \
        float_number + float_number + float_number + LineEnd()
    # SPECIES
    cmd_species = TCCommand('SPECIES') + species_name + chemical_formula + LineEnd()
    # TYPE_DEFINITION
    cmd_typedef = TCCommand('TYPE_DEFINITION') + \
        Suppress(White()) + CharsNotIn(' !', exact=1) + SkipTo(LineEnd())
    # FUNCTION
    cmd_function = TCCommand('FUNCTION') + symbol_name + \
        func_expr.setParseAction(_make_piecewise_ast)
    # ASSESSED_SYSTEMS
    cmd_ass_sys = TCCommand('ASSESSED_SYSTEMS') + SkipTo(LineEnd())
    # DEFINE_SYSTEM_DEFAULT
    cmd_defsysdef = TCCommand('DEFINE_SYSTEM_DEFAULT') + SkipTo(LineEnd())
    # DEFAULT_COMMAND
    cmd_defcmd = TCCommand('DEFAULT_COMMAND') + SkipTo(LineEnd())
    # DATABASE_INFO
    cmd_database_info = TCCommand('DATABASE_INFO') + SkipTo(LineEnd())
    # VERSION_DATE
    cmd_version_date = TCCommand('VERSION_DATE') + SkipTo(LineEnd())

pycalphad

CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.

GitHub
MIT
Latest version published 3 months ago

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75 / 100
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