Gromacs  2024.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Functions
mrcdensitymapheader.cpp File Reference
#include "gmxpre.h"
#include "mrcdensitymapheader.h"
#include <algorithm>
#include "gromacs/utility/exceptions.h"
+ Include dependency graph for mrcdensitymapheader.cpp:

Description

Implement mrc/ccp4-file metadata.

Author
Christian Blau blau@.nosp@m.kth..nosp@m.se

Functions

template<typename Container >
bool gmx::anonymous_namespace{mrcdensitymapheader.cpp}::anySmallerZero (const Container &values)
 Returns true if any of the argument values is smaller than zero.
 
template<typename Container >
bool gmx::anonymous_namespace{mrcdensitymapheader.cpp}::anyLargerThanValue (const Container &values, typename Container::value_type boundaryValue)
 Returns true if any of the argument values is larger than a given boundary value.
 
size_t gmx::numberOfExpectedDataItems (const MrcDensityMapHeader &header)
 Return the number of density data items that are expected to follow this header. More...
 
TranslateAndScale gmx::getCoordinateTransformationToLattice (const MrcDensityMapHeader &header)
 Extract the transformation into lattice coordinates. More...
 
dynamicExtents3D gmx::getDynamicExtents3D (const MrcDensityMapHeader &header)
 Extract the extents of the density data. More...
 
bool gmx::mrcHeaderIsSane (const MrcDensityMapHeader &header)
 Checks if the values in the header are sane. More...