#include <CoeffsBase.h>
Public Member Functions | |
CoeffsBase () | |
CoeffsBase (const std::string &, const std::vector< std::string > &, const std::vector< unsigned int > &, const bool use_iteration_counter=false) | |
CoeffsBase (const std::string &, std::vector< Value *> &, std::vector< BasisFunctions *> &, const bool use_iteration_counter=false) | |
CoeffsBase (const std::string &, std::vector< std::vector< Value *> > &, std::vector< std::vector< BasisFunctions *> > &, const bool use_iteration_counter=false, const std::string &multicoeffs_label="bias") | |
~CoeffsBase () | |
std::string | getLabel () const |
void | setLabel (const std::string &) |
std::string | getDataLabel () const |
void | setDataLabel (const std::string &) |
void | setLabels (const std::string &) |
void | setLabels (const std::string &, const std::string &) |
CoeffsType | getType () const |
std::string | getTypeStr () const |
void | setType (const CoeffsType coeffs_type) |
void | linkVesBias (VesBias *) |
void | linkAction (Action *) |
VesBias * | getPntrToVesBias () const |
Action * | getPntrToAction () const |
bool | isGenericCoeffs () const |
bool | isLinearBasisSetCoeffs () const |
bool | isMultiLinearBasisSetCoeffs () const |
std::vector< unsigned int > | shapeOfIndices () const |
unsigned int | shapeOfIndices (const unsigned int dim_index) const |
size_t | numberOfCoeffs () const |
unsigned int | numberOfDimensions () const |
bool | isActive () const |
void | activate () |
void | deactivate () |
size_t | getIndex (const std::vector< unsigned int > &) const |
std::vector< unsigned int > | getIndices (const size_t) const |
bool | indicesExist (const std::vector< unsigned int > &) const |
std::string | getCoeffDescription (const size_t index) const |
std::string | getCoeffDescription (const std::vector< unsigned int > &) const |
std::vector< std::string > | getAllCoeffsDescriptions () const |
void | setCoeffDescription (const size_t, const std::string &) |
void | setCoeffDescription (const std::vector< unsigned int > &, const std::string &) |
void | setAllCoeffsDescriptions (const std::string &description_prefix="C") |
void | setAllCoeffsDescriptions (const std::vector< std::string > &) |
std::string | getDimensionLabel (const unsigned int) const |
std::vector< std::string > | getAllDimensionLabels () const |
void | setDimensionLabel (const unsigned int, const std::string &) |
void | setAllDimensionLabels (const std::string &) |
void | setAllDimensionLabels (const std::vector< std::string > &) |
void | writeCoeffsInfoToFile (OFile &) const |
void | writeTimeInfoToFile (OFile &, const double) const |
void | getCoeffsInfoFromFile (IFile &, const bool ignore_coeffs_info=false) |
void | checkCoeffsInfo (const std::string &, const std::string &, const unsigned int, const size_t, const std::vector< unsigned int > &) |
void | turnOnIterationCounter () |
void | turnOffIterationCounter () |
bool | isIterationCounterActive () const |
void | setIterationCounter (const unsigned int) |
void | setTime (const double) |
void | setIterationCounterAndTime (const unsigned int, const double) |
unsigned int | getIterationCounter () const |
double | getTimeValue () const |
void | setOutputFmt (const std::string &ss) |
void | resetOutputFmt () |
std::string | getOutputFmt () const |
Protected Member Functions | |
void | setupBasisFunctionsInfo () |
void | resizeIndices (const std::vector< unsigned int > &) |
void | resizeIndices (std::vector< BasisFunctions *> &) |
bool | sameShape (const CoeffsBase &) const |
void | writeIterationCounterAndTimeToFile (OFile &) const |
bool | getIterationCounterAndTimeFromFile (IFile &) |
Private Types | |
enum | CoeffsType { Generic, LinearBasisSet, MultiCoeffs_LinearBasisSet } |
Private Member Functions | |
void | initializeIndices (const std::vector< unsigned int > &, const std::vector< std::string > &) |
void | reinitializeIndices (const std::vector< unsigned int > &) |
Private Attributes | |
std::string | label_ |
std::string | data_label_ |
enum PLMD::ves::CoeffsBase::CoeffsType | coeffs_type_ |
bool | iteration_and_time_active_ |
unsigned int | iteration_opt |
double | time_md |
bool | active |
Action * | action_pntr_ |
VesBias * | vesbias_pntr_ |
unsigned int | ndimensions_ |
std::vector< unsigned int > | indices_shape_ |
size_t | ncoeffs_ |
std::vector< std::string > | coeffs_descriptions_ |
std::vector< std::string > | dimension_labels_ |
std::vector< Value * > | args_ |
std::vector< BasisFunctions * > | basisf_ |
bool | multicoeffs_ |
std::vector< std::vector< Value * > > | multicoeffs_args_ |
std::vector< std::vector< BasisFunctions * > > | multicoeffs_basisf_ |
const std::string | field_type_ |
const std::string | field_ndimensions_ |
const std::string | field_ncoeffs_total_ |
const std::string | field_shape_prefix_ |
const std::string | field_time_ |
const std::string | field_iteration_ |
std::string | output_fmt_ |
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PLMD::ves::CoeffsBase::~CoeffsBase | ( | ) |
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void PLMD::ves::CoeffsBase::checkCoeffsInfo | ( | const std::string & | msg_header, |
const std::string & | coeffs_type_f, | ||
const unsigned int | ndimensions_f, | ||
const size_t | ncoeffs_total_f, | ||
const std::vector< unsigned int > & | indices_shape_f | ||
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void PLMD::ves::CoeffsBase::getCoeffsInfoFromFile | ( | IFile & | ifile, |
const bool | ignore_coeffs_info = false |
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std::string PLMD::ves::CoeffsBase::getTypeStr | ( | ) | const |
bool PLMD::ves::CoeffsBase::indicesExist | ( | const std::vector< unsigned int > & | indices | ) | const |
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void PLMD::ves::CoeffsBase::linkAction | ( | Action * | action_pntr_in | ) |
void PLMD::ves::CoeffsBase::linkVesBias | ( | VesBias * | vesbias_pntr_in | ) |
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void PLMD::ves::CoeffsBase::setAllCoeffsDescriptions | ( | const std::string & | description_prefix = "C" | ) |
void PLMD::ves::CoeffsBase::setAllCoeffsDescriptions | ( | const std::vector< std::string > & | coeffs_descriptions | ) |
void PLMD::ves::CoeffsBase::setAllDimensionLabels | ( | const std::string & | label_prefix | ) |
void PLMD::ves::CoeffsBase::setAllDimensionLabels | ( | const std::vector< std::string > & | labels | ) |
void PLMD::ves::CoeffsBase::setCoeffDescription | ( | const size_t | index, |
const std::string & | description | ||
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void PLMD::ves::CoeffsBase::setCoeffDescription | ( | const std::vector< unsigned int > & | indices, |
const std::string & | description | ||
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void PLMD::ves::CoeffsBase::setDataLabel | ( | const std::string & | data_label | ) |
void PLMD::ves::CoeffsBase::setDimensionLabel | ( | const unsigned int | dim_index, |
const std::string & | label | ||
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void PLMD::ves::CoeffsBase::setLabel | ( | const std::string & | label | ) |
void PLMD::ves::CoeffsBase::setLabels | ( | const std::string & | label | ) |
void PLMD::ves::CoeffsBase::setLabels | ( | const std::string & | label, |
const std::string & | data_label | ||
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void PLMD::ves::CoeffsBase::setType | ( | const CoeffsType | coeffs_type | ) |
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void PLMD::ves::CoeffsBase::writeCoeffsInfoToFile | ( | OFile & | ofile | ) | const |
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void PLMD::ves::CoeffsBase::writeTimeInfoToFile | ( | OFile & | , |
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