mchammer.Result

class mchammer.Result(start_time)[source]

Bases: object

Result of optimization.

Methods

`add_step_result`	Add StepResult.
`get_final_position_matrix`	Get final molecule in result.
`get_log`	Get result log.
`get_number_passed`	Get Number of steps that passed.
`get_step_count`	Get step count.
`get_steps_properties`	Yield properties of all steps.
`get_timing`	Get run timing.
`get_trajectory`	Yield .Molecule of all steps.
`update_log`	Update result log.

add_step_result(step_result)[source]

Add StepResult.

get_final_position_matrix()[source]

Get final molecule in result.

Get result log.

get_number_passed()[source]

Get Number of steps that passed.

get_step_count()[source]

Get step count.

get_steps_properties()[source]

Yield properties of all steps.

get_timing(time)[source]

Get run timing.

get_trajectory()[source]

Yield .Molecule of all steps.

update_log(string)[source]

Update result log.