Gromacs
2020-beta2
|
#include <gromacs/fileio/mrcdensitymap.h>
Read an mrc density map from a given file.
Higher level class than MrcDensityMapOfFloatReader that takes a file name upon construction and returns coordinate transformation into the density lattice as well as the density data.
Public Member Functions | |
MrcDensityMapOfFloatFromFileReader (const std::string &filename) | |
Read from filename. More... | |
TranslateAndScale | transformationToDensityLattice () const |
Return the coordinate transformation into the density. | |
MultiDimArray< std::vector < float >, dynamicExtents3D > | densityDataCopy () const |
Return a copy of the density data. | |
|
explicit |
Read from filename.
FileIOError | if file does not exist |
FileIOError | if read in buffer size does not match file size |
FileIOError | if header information does not match density data size |