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ProSHADE
0.7.5.4 (MAR 2021)
Protein Shape Detection
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Go to the documentation of this file.
27 #ifndef __PROSHADE_MISC__
28 #define __PROSHADE_MISC__
39 void addToStringVector ( std::vector < std::string >* vecToAddTo, std::string elementToAdd );
40 void addToSingleVector ( std::vector < proshade_single >* vecToAddTo, proshade_single elementToAdd );
41 void addToDoubleVector ( std::vector < proshade_double >* vecToAddTo, proshade_double elementToAdd );
42 void addToUnsignVector ( std::vector < proshade_unsign >* vecToAddTo, proshade_unsign elementToAdd );
43 void addToSignedVector ( std::vector < proshade_signed >* vecToAddTo, proshade_signed elementToAdd );
44 void addToDblPtrVector ( std::vector < proshade_double* >* vecToAddTo, proshade_double* elementToAdd );
45 void addToSigPtrVector ( std::vector < proshade_signed* >* vecToAddTo, proshade_signed* elementToAdd );
46 void addToUnsignVectorVector ( std::vector < std::vector < proshade_unsign > >* vecToAddTo, std::vector < proshade_unsign > elementToAdd );
47 void addToDoubleVectorVector ( std::vector < std::vector < proshade_double > >* vecToAddTo, std::vector < proshade_double > elementToAdd );
49 bool sortSymHlp (
const proshade_double* a,
const proshade_double* b );
50 bool sortSymHlpInv (
const proshade_double* a,
const proshade_double* b );
51 bool sortDSymHlpInv (
const proshade_double* a,
const proshade_double* b );
55 void deepCopyBoundsSigPtrVector ( std::vector < proshade_signed* >* sigPtrVec, proshade_signed* xFrom, proshade_signed* xTo, proshade_signed* yFrom,
56 proshade_signed* yTo, proshade_signed* zFrom, proshade_signed* zTo );
65 template <
class chVar>
inline void checkMemoryAllocation ( chVar checkVar, std::string fileP,
unsigned int lineP, std::string funcP, std::string infoP =
"This error may occurs when ProSHADE requests memory to be\n : allocated to it and this operation fails. This could\n : happen when not enough memory is available, either due to\n : other processes using a lot of memory, or when the machine\n : does not have sufficient memory available. Re-run to see\n : if this problem persists." )
68 if ( checkVar == NULL )
70 throw ProSHADE_exception (
"Failed to allocate memory.",
"E000007", fileP, lineP, funcP, infoP );
bool sortSymInvFoldHlp(const proshade_double *a, const proshade_double *b)
This function compares two arrays of two based on the first number, sorting highest first.
void addToDblPtrVector(std::vector< proshade_double * > *vecToAddTo, proshade_double *elementToAdd)
Adds the element to the vector.
bool sortSymHlp(const proshade_double *a, const proshade_double *b)
This function compares two arrays of two based on the fifth number, sorting lowest first.
This class is the representation of ProSHADE exception.
void addToUnsignVectorVector(std::vector< std::vector< proshade_unsign > > *vecToAddTo, std::vector< proshade_unsign > elementToAdd)
Adds the element to the vector of vectors.
void addToDoubleVector(std::vector< proshade_double > *vecToAddTo, proshade_double elementToAdd)
Adds the element to the vector.
void addToSigPtrVector(std::vector< proshade_signed * > *vecToAddTo, proshade_signed *elementToAdd)
Adds the element to the vector.
void addToSignedVector(std::vector< proshade_signed > *vecToAddTo, proshade_signed elementToAdd)
Adds the element to the vector.
bool sortDSymHlpInv(const proshade_double *a, const proshade_double *b)
This function compares two arrays of the ProSHADE dihedral symmetry list based on combination of axes...
void deepCopyAxisToDblPtrVector(std::vector< proshade_double * > *dblPtrVec, proshade_double *axis)
Does a deep copy of a double array to a vector of double arrays.
This header file contains all message function declarations.
void checkMemoryAllocation(chVar checkVar, std::string fileP, unsigned int lineP, std::string funcP, std::string infoP="This error may occurs when ProSHADE requests memory to be\n : allocated to it and this operation fails. This could\n : happen when not enough memory is available, either due to\n : other processes using a lot of memory, or when the machine\n : does not have sufficient memory available. Re-run to see\n : if this problem persists.")
Checks if memory was allocated properly.
void addToDoubleVectorVector(std::vector< std::vector< proshade_double > > *vecToAddTo, std::vector< proshade_double > elementToAdd)
Adds the element to the vector of vectors.
void addToUnsignVector(std::vector< proshade_unsign > *vecToAddTo, proshade_unsign elementToAdd)
Adds the element to the vector.
This namespace contains all the miscellaneous functions used throughout the code but unrelated to it.
void addToSingleVector(std::vector< proshade_single > *vecToAddTo, proshade_single elementToAdd)
Adds the element to the vector.
bool sortSymHlpInv(const proshade_double *a, const proshade_double *b)
This function compares two arrays of two based on the fifth number, sorting highest first.
void addToStringVector(std::vector< std::string > *vecToAddTo, std::string elementToAdd)
Adds the element to the vector.
void deepCopyBoundsSigPtrVector(std::vector< proshade_signed * > *sigPtrVec, proshade_signed *xFrom, proshade_signed *xTo, proshade_signed *yFrom, proshade_signed *yTo, proshade_signed *zFrom, proshade_signed *zTo)
Does a deep copy of a signed int array to a vector of signed int arrays.