Gromacs  2020.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Member Functions
gmx::SetStartTime Class Reference

#include <gromacs/coordinateio/outputadapters/setstarttime.h>

+ Inheritance diagram for gmx::SetStartTime:
+ Collaboration diagram for gmx::SetStartTime:


SetStartTime class allows changing trajectory time information.

This class allows the user to set custom start time information for the current frame in a trajectory.

Public Member Functions

 SetStartTime (real startTime)
 Construct object with choice for how to change initial time. More...
 SetStartTime (SetStartTime &&old) noexcept=default
 Move constructor for SetStartTime.
void processFrame (int, t_trxframe *input) override
 Change t_trxframe according to user input. More...
void checkAbilityDependencies (unsigned long) const override
 Checks that the abilities of the output writer are sufficient for this adapter. More...
- Public Member Functions inherited from gmx::IOutputAdapter
 IOutputAdapter ()
 Default constructor for IOutputAdapter interface.
 IOutputAdapter (IOutputAdapter &&old) noexcept=default
 Move constructor for old object.

Constructor & Destructor Documentation

gmx::SetStartTime::SetStartTime ( real  startTime)

Construct object with choice for how to change initial time.

[in]startTimeUser defined value for the initial time.

Member Function Documentation

void gmx::SetStartTime::checkAbilityDependencies ( unsigned  abilities) const

Checks that the abilities of the output writer are sufficient for this adapter.

It can happen that a method to write coordinate files does not match with a requested operation on the input data (e.g. the user requires velocities or forces to be written to a PDB file). To check those dependencies, derived classes need to implement a version of this function to make sure that only matching methods can be used.

[in]abilitiesThe abilities of an output method that need to be checked against the dependencies created by using the derived method.
InconsistentInputErrorIf dependencies can not be matched to abilities.

Implements gmx::IOutputAdapter.

void gmx::SetStartTime::processFrame ( int  framenumber,
t_trxframe *  input 

Change t_trxframe according to user input.

[in]framenumberFrame number as reported from the trajectoryanalysis framework or set by user.
[in,out]inputPointer to trajectory analysis frame that will be worked on.

Implements gmx::IOutputAdapter.

The documentation for this class was generated from the following files: