#include <gromacs/coordinateio/outputadapters/settimestep.h>
SetTimeStep class allows changing trajectory time information.
This class allows the user to set custom time step information for the current frame in a trajectory.
gmx::SetTimeStep::SetTimeStep |
( |
real |
timeStep | ) |
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inlineexplicit |
Construct SetTime object with choice for how to change time.
Can be used to initialize SetTime from outside of trajectoryanalysis with the user specified option to change frame time information or not.
- Parameters
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[in] | timeStep | User defined value for the time step. |
void gmx::SetTimeStep::checkAbilityDependencies |
( |
unsigned |
abilities | ) |
const |
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inlineoverridevirtual |
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.
- Parameters
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[in] | abilities | The abilities of an output method that need to be checked against the dependencies created by using the derived method. |
- Exceptions
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Implements gmx::IOutputAdapter.
void gmx::SetTimeStep::processFrame |
( |
int |
framenumber, |
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t_trxframe * |
input |
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) |
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overridevirtual |
Change t_trxframe according to user input.
- Parameters
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[in] | framenumber | Frame number as reported from the trajectoryanalysis framework or set by user. |
[in,out] | input | Pointer to trajectory analysis frame that will be worked on. |
Implements gmx::IOutputAdapter.
The documentation for this class was generated from the following files: