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gmx::MrcDensityMapOfFloatFromFileReader Class Reference

#include <gromacs/fileio/mrcdensitymap.h>

Description

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.

Attempts reading with swapped endianess if header is not sane.

Performs basic sanity checks on header information and data size.

Note
File reading is completed during construction. When the constructor completes succesfully, transformation to density lattice and density data are valid, irrespective of the state of the read file.

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.
 

Constructor & Destructor Documentation

gmx::MrcDensityMapOfFloatFromFileReader::MrcDensityMapOfFloatFromFileReader ( const std::string &  filename)
explicit

Read from filename.

Exceptions
FileIOErrorif file does not exist
FileIOErrorif read in buffer size does not match file size
FileIOErrorif header information does not match density data size

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