gmx::anonymous_namespace{mrcserializer.cpp} Namespace Reference

Enumerations
enum	MachineStamp : int32_t { MachineStamp::bigEndian = 0x11110000, MachineStamp::smallEndian = 0x44440000 }
	Machine stamp to indicate endianess of mrc/ccp4 file. As named in "EMDB Map Distribution Format Description Version 1.01 (c) emdatabank.org 2014" The first two bytes of a 4 byte unsigned int are used to indicate endianess: 0x11 0x11 big endian 0x44 0x44 small endian Byte-swap data if appropriate, when transferring data files between machines. More...

Functions
template<typename ContainerType >
std::enable_if_t < std::is_same_v< typename ContainerType::value_type, int32_t >, void >	serialize (ISerializer *serializer, ContainerType *valueContainer)
	Serialize a container of int32_t values. Serializes all containers with value_type int32_t that may looped over in a range based for loop and have modifiable elements. More...
template<typename ContainerType >
std::enable_if_t < std::is_same_v< typename ContainerType::value_type, float >, void >	serialize (ISerializer *serializer, ContainerType *valueContainer)
	Serialize a container of float values. Serializes all containers with value_type float that may looped over in a range based for loop and have modifiable elements. More...
void	serializeIndex (ISerializer *serializer, int32_t *index)
	Serialize and convert from FORTRAN 1-based to C 0-based indices when reading and vice versa when writing.
void	serializeIndices (ISerializer *serializer, std::array< int32_t, 3 > *valueArray)
	Serializes an integer array and add unity when writing, substracting unity when reading.
template<class IntegralType >
std::enable_if_t <(std::is_integral_v < IntegralType > ||std::is_enum_v< IntegralType > ), void >	serializeAsInt32 (ISerializer *serializer, IntegralType *value)
	Serialize input as int32_t via static casting. More...
float	mrcUnitsToNm (float mrcValue)
	Convert MRC distances to nm.
float	nmToMrcUnits (float nmValue)
	Convert nm to MRC distances.
void	serializeDistance (ISerializer *serializer, float *distance)
	Serialize and convert between MRC and GROMACS distance units.
void	serializeCrystallographicSkewData (ISerializer *serializer, MrcDensitySkewData *skewData)
	Serialize the skew data, words 25-37 in an mrc file.
void	doMrcDensityMapHeader (ISerializer *serializer, MrcDensityMapHeader *mrcFile)
	Symmetrise and de-serializes the mrc density map header. More...

Variables
constexpr float	c_nmToMrcUnits = 10
	conversion constant from nm to MRC distance units (Ångström)

Enumeration Type Documentation

enum gmx::anonymous_namespace{mrcserializer.cpp}::MachineStamp : int32_t

strong

Machine stamp to indicate endianess of mrc/ccp4 file. As named in "EMDB Map Distribution Format Description Version 1.01 (c) emdatabank.org 2014" The first two bytes of a 4 byte unsigned int are used to indicate endianess: 0x11 0x11 big endian 0x44 0x44 small endian Byte-swap data if appropriate, when transferring data files between machines.

Enumerator
bigEndian	big endian magic number 0x11 0x11 0x00 0x00 = 286,326,784
smallEndian	small endian magic number 0x44 0x44 0x00 0x00 = 1,145,307,136

Function Documentation

void gmx::anonymous_namespace{mrcserializer.cpp}::doMrcDensityMapHeader	(	ISerializer *	serializer,
		MrcDensityMapHeader *	mrcFile
	)

Symmetrise and de-serializes the mrc density map header.

Supports reading EMDB density maps in mrc format according to ftp://ftp.wwpdb.org/pub/emdb/doc/Map-format/current/EMDB_map_format.pdf

Note

format has small differences to http://www.ccpem.ac.uk/mrc_format/mrc2014.php

template<typename ContainerType >

std::enable_if_t<std::is_same_v<typename ContainerType::value_type, int32_t>, void> gmx::anonymous_namespace{mrcserializer.cpp}::serialize	(	ISerializer *	serializer,
		ContainerType *	valueContainer
	)

Serialize a container of int32_t values. Serializes all containers with value_type int32_t that may looped over in a range based for loop and have modifiable elements.

Template Parameters

ContainerType

type of container to be serialized

Parameters

[in,out]	serializer	the serializer
[in,out]	valueContainer	the array to be serialized

template<typename ContainerType >

std::enable_if_t<std::is_same_v<typename ContainerType::value_type, float>, void> gmx::anonymous_namespace{mrcserializer.cpp}::serialize	(	ISerializer *	serializer,
		ContainerType *	valueContainer
	)

Serialize a container of float values. Serializes all containers with value_type float that may looped over in a range based for loop and have modifiable elements.

Template Parameters

ContainerType

type of container to be serialized

Parameters

[in,out]	serializer	the serializer
[in,out]	valueContainer	the array to be serialized

template<class IntegralType >

std::enable_if_t<(std::is_integral_v<IntegralType> || std::is_enum_v<IntegralType>), void> gmx::anonymous_namespace{mrcserializer.cpp}::serializeAsInt32	(	ISerializer *	serializer,
		IntegralType *	value
	)

Serialize input as int32_t via static casting.

Template Parameters

IntegralType

type to be serialized as int32_t