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ProSHADE
0.7.5.1 (JAN 2021)
Protein Shape Detection
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This header file declares the functions required to compute the spherical harmonics decomposition for a particular sphere. More...
#include "ProSHADE_mapManip.hpp"
Go to the source code of this file.
Namespaces | |
ProSHADE_internal_sphericalHarmonics | |
This namespace contains the internal functions for computing spherical harmonics and their related computations. | |
Functions | |
void | ProSHADE_internal_sphericalHarmonics::allocateComputationMemory (proshade_unsign band, proshade_double *&inputReal, proshade_double *&inputImag, proshade_double *&outputReal, proshade_double *&outputImag, double *&shWeights, double *&tableSpaceHelper, fftw_complex *&workspace) |
This function determines the integration order for the between spheres integration. More... | |
void | ProSHADE_internal_sphericalHarmonics::placeWithinWorkspacePointers (fftw_complex *&workspace, proshade_unsign oDim, proshade_double *&rres, proshade_double *&ires, proshade_double *&fltres, proshade_double *&scratchpad) |
This function takes the workspace pointer and correctly places the other internal pointers. More... | |
void | ProSHADE_internal_sphericalHarmonics::initialiseFFTWPlans (proshade_unsign band, fftw_plan &fftPlan, fftw_plan &dctPlan, proshade_double *&inputReal, proshade_double *&inputImag, proshade_double *&rres, proshade_double *&ires, proshade_double *&scratchpad) |
This function initialises the FFTW plans. More... | |
void | ProSHADE_internal_sphericalHarmonics::releaseSphericalMemory (proshade_double *&inputReal, proshade_double *&inputImag, proshade_double *&outputReal, proshade_double *&outputImag, double *&tableSpaceHelper, double **&tableSpace, double *&shWeights, fftw_complex *&workspace, fftw_plan &fftPlan, fftw_plan &dctPlan) |
This function computes the spherical harmonics of a aingle shell, saving them in supplied pointer. More... | |
void | ProSHADE_internal_sphericalHarmonics::initialiseAllMemory (proshade_unsign band, proshade_double *&inputReal, proshade_double *&inputImag, proshade_double *&outputReal, proshade_double *&outputImag, double *&shWeights, double **&tableSpace, double *&tableSpaceHelper, fftw_complex *&workspace, proshade_double *&rres, proshade_double *&ires, proshade_double *&fltres, proshade_double *&scratchpad, fftw_plan &fftPlan, fftw_plan &dctPlan) |
This function initialises all the memory required for spherical harmonics computation. More... | |
void | ProSHADE_internal_sphericalHarmonics::initialSplitDiscreteTransform (proshade_unsign oneDim, proshade_double *&inputReal, proshade_double *&inputImag, proshade_double *&rres, proshade_double *&ires, proshade_double *mappedData, fftw_plan &fftPlan, proshade_double normCoeff) |
This function computes the spherical harmonics of a aingle shell, saving them in supplied pointer. More... | |
void | ProSHADE_internal_sphericalHarmonics::computeSphericalTransformCoeffs (proshade_unsign band, proshade_double *&rdataptr, proshade_double *&idataptr, proshade_double *&outputReal, proshade_double *&outputImag, proshade_double *&rres, proshade_double *&ires, proshade_double *&fltres, proshade_double *&scratchpad, double **&tablePml, double *&shWeights, fftw_plan &dctPlan) |
This function takes the split discrete transform and proceeds to complete the spherical harmonics decomposition. More... | |
void | ProSHADE_internal_sphericalHarmonics::applyCondonShortleyPhase (proshade_unsign band, proshade_double *outputReal, proshade_double *outputImag, proshade_complex *&shArray) |
This is the final step in computing the full spherical harmonics decomposition of the input data. More... | |
void | ProSHADE_internal_sphericalHarmonics::computeSphericalHarmonics (proshade_unsign band, proshade_double *sphereMappedData, proshade_complex *&shArray) |
This function computes the spherical harmonics of a aingle shell, saving them in supplied pointer. More... | |
This header file declares the functions required to compute the spherical harmonics decomposition for a particular sphere.
This header file declares the ProSHADE_internal_sphericalHarmonics namespace, which groups all the function required to compute the spherical harmonics decompostion on a surface of a sphere. There are also support functions for tasks like memory allocation and release and such.
Copyright by Michal Tykac and individual contributors. All rights reserved.
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Definition in file ProSHADE_sphericalHarmonics.hpp.