ProSHADE  0.7.6.6 (JUL 2022)
Protein Shape Detection
ProSHADE_wignerMatrices.hpp File Reference

This header declares the functions required to compute the Wigner D matrices. More...

#include "ProSHADE_data.hpp"

Go to the source code of this file.

Namespaces

 ProSHADE_internal_wigner
 This namespace contains all the functionality required to perform object rotation in SO(3) space.
 

Functions

void ProSHADE_internal_wigner::allocateWignerWorkspace (proshade_double *&matIn, proshade_double *&matOut, proshade_double *&sqrts, proshade_double *&workspace, proshade_double *&alphaExponentReal, proshade_double *&alphaExponentImag, proshade_double *&gammaExponentReal, proshade_double *&gammaExponentImag, proshade_double *&trigs, proshade_unsign compBand)
 This function allocates the memory for the Wigner matrices computation. More...
 
void ProSHADE_internal_wigner::releaseWignerWorkspace (proshade_double *&matIn, proshade_double *&matOut, proshade_double *&sqrts, proshade_double *&workspace, proshade_double *&alphaExponentReal, proshade_double *&alphaExponentImag, proshade_double *&gammaExponentReal, proshade_double *&gammaExponentImag, proshade_double *&trigs)
 This function releases the memory for the Wigner matrices computation. More...
 
void ProSHADE_internal_wigner::prepareTrigsSqrtsAndExponents (proshade_double *sqrts, proshade_double *alphaExponentReal, proshade_double *alphaExponentImag, proshade_double *gammaExponentReal, proshade_double *gammaExponentImag, proshade_double *trigs, proshade_unsign compBand, proshade_double angAlpha, proshade_double angBeta, proshade_double angGamma)
 This function sets all the values repeatedly required for the computation. More...
 
void ProSHADE_internal_wigner::computeWignerMatrices (ProSHADE_settings *settings, ProSHADE_internal_data::ProSHADE_data *obj, proshade_double *alphaExponentReal, proshade_double *alphaExponentImag, proshade_double *gammaExponentReal, proshade_double *gammaExponentImag, proshade_double *matIn, proshade_double *matOut, proshade_double *trigs, proshade_double *sqrts, proshade_double *workspace)
 This function does the actual computation of the Wigner D matrices. More...
 
void ProSHADE_internal_wigner::computeWignerMatricesForRotation (ProSHADE_settings *settings, ProSHADE_internal_data::ProSHADE_data *obj, proshade_double eulerAlpha, proshade_double eulerBeta, proshade_double eulerGamma)
 This function computes the Wigner D matrices for a particular set of Euler angles. More...
 

Detailed Description

This header declares the functions required to compute the Wigner D matrices.

The functions declared in this header file in the ProSHADE_internal_wigner namespace are required to compute the Wigner D matrices, which in turn allow the computation of the inverse SOFT transform as well as rotation of internal map representations in the spherical harmonics coefficient space.

Copyright by Michal Tykac and individual contributors. All rights reserved.

Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1) Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2) Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3) Neither the name of Michal Tykac nor the names of this code's contributors may be used to endorse or promote products derived from this software without specific prior written permission.

This software is provided by the copyright holder and contributors "as is" and any express or implied warranties, including, but not limitted to, the implied warranties of merchantibility and fitness for a particular purpose are disclaimed. In no event shall the copyright owner or the contributors be liable for any direct, indirect, incidental, special, exemplary, or consequential damages (including, but not limitted to, procurement of substitute goods or services, loss of use, data or profits, or business interuption) however caused and on any theory of liability, whether in contract, strict liability or tort (including negligence or otherwise) arising in any way out of the use of this software, even if advised of the possibility of such damage.

Author
Michal Tykac
Garib N. Murshudov
Version
0.7.6.6
Date
JUL 2022

Definition in file ProSHADE_wignerMatrices.hpp.