Module “abstract_base”¶

class tc_python.abstract_base.AbstractCalculation(calculator)¶

Bases: object

Abstract base class for calculations.

get_configuration_as_string() → str¶: Returns detailed information about the current state of the calculation object.

Warning

The structure of the calculator objects is an implementation detail and might change between releases without notice. Therefore do not rely on the internal object structure.

get_system_data() → tc_python.abstract_base.SystemData ¶

Returns the content of the database for the currently loaded system. This can be used to modify the parameters and functions and to change the current system by using with_system_modifications().

Note

Parameters can only be read from unencrypted (i.e. user) databases loaded as *.tdb-file.

Returns: The system data

invalidate()¶: Invalidates the object and frees the disk space used by it. This is only required if the disk space occupied by the object needs to be released during the calculation. No data can be retrieved from the object afterwards.

with_system_modifications(system_modifications: tc_python.abstract_base.SystemModifications)¶

Updates the system of this calculator with the supplied system modification (containing new phase parameters and system functions).

Note

This is only possible if the system has been read from unencrypted (i.e. user) databases loaded as a *.tdb-file.

Parameters: system_modifications – The system modification to be performed
Returns

class tc_python.abstract_base.AbstractResult(result)¶

Bases: object

Abstract base class for results. This can be used to query for specific values .

invalidate()¶: Invalidates the object and frees the disk space used by it. This is only required if the disk space occupied by the object needs to be released during the calculation. No data can be retrieved from the object afterwards.

class tc_python.abstract_base.PhaseParameter(parameter_name: Union[str, object])¶

Bases: object

Database phase parameter expression used by SystemModifications.set().

Parameters: parameter_name – The phase parameter name

get_intervals() → List[tc_python.abstract_base.TemperatureInterval]¶

Returns the list of all defined intervals.

Returns: The defined temperature intervals

get_lower_temperature_limit() → float¶

Returns the lower temperature limit.

Returns: The lower temperature limit in K

get_name() → str¶

Returns the name of the phase parameter.

Returns: The name of the phase parameter.

remove_all_intervals()¶

Removes all previously defined temperature intervals.

Returns: This PhaseParameter object

remove_interval_with_upper_limit(upper_temperature_limit: float)¶

Removes a previously defined temperature interval with matching upper temperature limit.

If no such interval exists, an exception is thrown.

Returns: This PhaseParameter object

set_expression_with_upper_limit(parameter_expression: str, upper_temperature_limit: float = 6000.0)¶

Adds/overwrites a parameter expression for a temperature interval.

Default value of the upper limit of the interval: 6000 K

Note

The lower temperature limit is either defined by the lower temperature limit given with PhaseParameter.set_lower_temperature_limit() or by the upper temperature limit of the adjacent interval.

Note

If there is an existing interval with exactly the same upper_temperature_limit, that interval is overwritten, otherwise the interval is added.

Parameters

parameter_expression – The parameter expression, example: +V34*T*LN(T)+V35*T**2+V36*T**(-1)+V37*T**3”)
upper_temperature_limit – The upper temperature limit for which the expression should be used

Returns

This PhaseParameter object

set_interval(interval: tc_python.abstract_base.TemperatureInterval)¶

Adds/overwrites a temperature interval.

Note

The lower temperature limit is either defined by the lower temperature limit given with PhaseParameter.set_lower_temperature_limit() or by the upper temperature limit of the adjacent interval.

Note

If there is an existing interval with exactly the same upper_temperature_limit, that interval is overwritten, otherwise the interval is added.

Returns: This PhaseParameter object

set_lower_temperature_limit(lower_temperature_limit: float = 298.15)¶

Sets the lower temperature limit of the phase parameter.

Default: 298.15 K

Parameters: lower_temperature_limit – The lower temperature limit in K
Returns: This PhaseParameter object

class tc_python.abstract_base.SystemData(system_data)¶

Bases: object

Provides information about the parameters and functions of a user database. The obtained objects can be used to modify the database using with_system_modifications() of all calculators.

Note

Parameters can only be read from unencrypted (i.e. user) databases loaded as *.tdb-file.

get_phase_parameter(parameter: str) → tc_python.abstract_base.PhaseParameter ¶

Returns a phase parameter.

Example:

system_data.get_phase_parameter(‘G(HCP_A3,FE:VA;0)’)

Note

Parameters can only be read from unencrypted (i.e. user) databases loaded as a *.tdb-file.

Note

For details about the syntax search the Thermo-Calc help for GES (the name for the Gibbs Energy System module in Console Mode).

Parameters: parameter – The name of the phase parameter (for example: “G(LIQUID,FE;0)”)
Returns: The phase parameter

get_phase_parameter_names() → List[str]¶

Returns all phase parameters present in the current system.

Returns: The list of phase parameters

get_system_function(f: str) → tc_python.abstract_base.SystemFunction ¶

Returns a system function.

Note

The parameter ‘f’ was previously called ‘function’ but was renamed.

Example:

system_data.get_system_function(‘GHSERCR’)

Note

Functions can only be read from unencrypted (i.e. user) databases loaded as a *.tdb-file.

Note

For details about the syntax search the Thermo-Calc help for GES (the name for the Gibbs Energy System module in Console Mode).

Parameters: f – The name of the system function (for example: “GHSERCR”)
Returns: The system function

get_system_function_names() → List[str]¶

Returns all system functions present in the current system.

Returns: The list of system functions

class tc_python.abstract_base.SystemFunction(function_name: Union[str, object])¶

Bases: object

Database function expression used by SystemModifications.set().

Parameters: function_name – The function name

get_intervals() → List[tc_python.abstract_base.TemperatureInterval]¶

Returns the list of all defined intervals.

Returns: The defined temperature intervals

get_lower_temperature_limit() → float¶

Returns the lower temperature limit.

Returns: The lower temperature limit in K

get_name() → str¶

Returns the name of the system function.

Returns: The name of the system function

remove_all_intervals()¶

Removes all previously defined temperature intervals.

Returns: This SystemFunction object

remove_interval_with_upper_limit(upper_temperature_limit: float)¶

Removes a previously defined temperature interval with matching upper temperature limit.

If no such interval exists, an exception is thrown.

Returns: This SystemFunction object

set_expression_with_upper_limit(function_expression: str, upper_temperature_limit: float = 6000.0)¶

Adds/overwrites a function expression for a temperature interval.

Default value of the upper limit of the interval: 6000 K

Note

The lower temperature limit is either defined by the lower temperature limit given with SystemFunction.set_lower_temperature_limit() or by the upper temperature limit of the adjacent interval.

Note

If there is an existing interval with exactly the same upper_temperature_limit, that interval is overwritten, otherwise the interval is added.

Parameters

function_expression – The function expression, example: +V34*T*LN(T)+V35*T**2+V36*T**(-1)+V37*T**3”)
upper_temperature_limit – The upper temperature limit for which the expression should be used

Returns

This SystemFunction object

set_interval(interval: tc_python.abstract_base.TemperatureInterval)¶

Adds/overwrites a temperature interval.

Note

The lower temperature limit is either defined by the lower temperature limit given with SystemFunction.set_lower_temperature_limit() or by the upper temperature limit of the adjacent interval.

Note

If there is an existing interval with exactly the same upper_temperature_limit, that interval is overwritten, otherwise the interval is added.

Returns: This SystemFunction object

set_lower_temperature_limit(lower_temperature_limit: float = 298.15)¶

Sets the lower temperature limit of the system function.

Default: 298.15 K

Parameters: lower_temperature_limit – The lower limit in K
Returns: This SystemFunction object

class tc_python.abstract_base.SystemModifications¶

Bases: object

Functionality to modify a user database during a calculation by changing phase parameters and system functions.

The actual changes are only applied by using tc_python.abstract_base.AbstractCalculation.with_system_modifications() on a calculator object.

run_ges_command(ges_command: str)¶

Sends a GES-command. This is actually applied when running `with_system_modifications` on a calculator object.

Example: run_ges_command(“AM-PH-DE FCC_A1 C_S 2 Fe:C”) for adding a second composition set to the FCC_A1 phase with Fe as major constituent on first sublattice and C as major constituent on second sublattice.

Note

For details about the syntax search the Thermo-Calc help for GES (the name for the Gibbs Energy System module in Console Mode).

Note

It should not be necessary for most users to use this method, try to use the corresponding method implemented in the API instead.

Warning

As this method runs raw GES-commands directly in the engine, it may hang the program in case of spelling mistakes (e.g. forgotten parenthesis, …).

Parameters: ges_command – The GES-command (for example: “AM-PH-DE FCC_A1 C_S 2 Fe:C”)
Returns: This SystemModifications object

set(parameter_or_function: Union[tc_python.abstract_base.PhaseParameter, tc_python.abstract_base.SystemFunction])¶

Overwrites or creates a phase parameter or system function.

Example: system_modifications.set(PhaseParameter(‘G(LIQUID,FE;0)’).set_expression_with_upper_limit(‘+1.2*GFELIQ’))

Example: system_modifications.set(SystemFunction(“DGDEF”).set_expression_with_upper_limit(‘+10.0-R*T’, 1000).set_expression_with_upper_limit(‘+20.0-R*T’, 3000))

Note

The old parameter/function is overwritten and any temperature intervals not defined are lost.

Note

Please consult the Thermo-Calc GES-system documentation for details about the syntax.

Returns: This SystemModifications object

class tc_python.abstract_base.TemperatureInterval(expression: Union[str, object], upper_temperature_limit: float)¶

Bases: object

Temperature interval expression used by the classes SystemFunction and PhaseParameter.

Parameters

expression – The temperature function expressed in Thermo-Calc database syntax.
upper_temperature_limit – The upper temperature limit in K

get_expression() → str¶

Returns the function expression of this temperature interval.

Returns: The temperature function expression

get_upper_temperature_limit() → float¶

Returns the upper limit of this temperature interval.

Returns: The upper temperature limit in K

set_expression(expression: str)¶

Sets the function expression of this temperature interval.

Parameters: expression – The temperature function expression

set_upper_temperature_limit(upper_temperature_limit: float)¶

Sets the upper limit of this temperature interval.

Parameters: upper_temperature_limit – The upper temperature limit in K