ProSHADE_internal Namespace Reference

This namespace contains all the internal objects and their forward declarations. More...

Classes
class	ProSHADE_compareOneAgainstAll
	This is the executive class responsible for comparing two or more structures. More...
class	ProSHADE_comparePairwise
	This is the executive class responsible for comparing strictly two structures. More...
class	ProSHADE_data
	This class deals with reading in the data and computing structure specific information including the spherical harmonics coefficients. More...
class	ProSHADE_distances
	This is the executive class for computing distances between two or more structures. More...
class	ProSHADE_mapFeatures
	This class is responsible for reading in map and computing all its features and other possible map manipulation. More...
class	ProSHADE_symmetry
	This is the class which computes the symmetry in a single structure. More...

Functions
unsigned int	checkFileType (std::string fileName)
	This function checks the input file for being either PDB or MAP formatted. More...

Detailed Description

The ProSHADE namespace wraps around everything in the library and thus makes sure that any library with identically called function will be easily distinguishable.

Function Documentation

checkFileType()

unsigned int ProSHADE_internal::checkFileType

(

std::string

fileName

)

This function is used to determine which data format the input data are in and if it is supported. This is done by basically trying to read the file using MMDB and Clipper, so it should be extension independent.

Parameters

[in]	fileName	The file name (and path) to the file to be checked.
[out]	X	An unsigned int value 0 for not recognised format, 1 for PDB and 2 for MAP formats.

Warning

This is an internal function which should not be used by the user.

Definition at line 70 of file ProSHADE_internal.cpp.