Pscf::Rpc::WFields< D > Class Template Reference
A container of fields stored in both basis and r-grid format. More...
#include <WFields.h>
Inheritance diagram for Pscf::Rpc::WFields< D >:
Additional Inherited Members | |
| Public Member Functions inherited from Pscf::Rp::WFields< D, RField< D >, FieldIo< D > > | |
| void | setFieldIo (FieldIo< D > const &fieldIo) |
| Create association with FIT (store pointer). | |
| void | setReadUnitCell (UnitCell< D > &cell) |
| Set unit cell used when reading field files. | |
| void | setWriteUnitCell (UnitCell< D > const &cell) |
| Set unit cell used when writing field files. | |
| void | setNMonomer (int nMonomer) |
| Set stored value of nMonomer. | |
| void | allocateRGrid (IntVec< D > const &dimensions) |
| Allocate or re-allocate memory for fields in rgrid format. | |
| void | allocateBasis (int nBasis) |
| Allocate or re-allocate memory for fields in basis format. | |
| void | allocate (int nMonomer, int nBasis, IntVec< D > const &dimensions) |
| Allocate memory for all fields. | |
| void | setBasis (DArray< DArray< double > > const &fields) |
| Set field component values, in symmetrized Fourier format. | |
| void | setRGrid (DArray< RField< D > > const &fields, bool isSymmetric=false) |
| Set fields values in real-space (r-grid) format. | |
| void | readBasis (std::istream &in) |
| Read fields from an input stream in symmetrized basis format. | |
| void | readBasis (std::string filename) |
| Read fields from a named file, in symmetrized basis format. | |
| void | readRGrid (std::istream &in, bool isSymmetric=false) |
| Reads fields from an input stream in real-space (r-grid) format. | |
| void | readRGrid (std::string filename, bool isSymmetric=false) |
| Reads fields from a named file in real-space (r-grid) format. | |
| void | symmetrize () |
| Symmetrize r-grid fields, compute corresponding basis components. | |
| void | clear () |
| Clear data stored in this object without deallocating. | |
| Signal< void > & | signal () |
| Get a signal that notifies observers of field modification. | |
| void | writeBasis (std::ostream &out) const |
| Write fields to an input stream in symmetrized basis format. | |
| void | writeBasis (std::string filename) const |
| Write fields to a named file, in symmetrized basis format. | |
| void | writeRGrid (std::ostream &out) const |
| Writes fields to an input stream in real-space (r-grid) format. | |
| void | writeRGrid (std::string filename) const |
| Writes fields to a named file in real-space (r-grid) format. | |
| DArray< DArray< double > > const & | basis () const |
| Get array of all fields in basis format. | |
| DArray< double > const & | basis (int monomerId) const |
| Get the field for one monomer type in basis format. | |
| DArray< RField< D > > const & | rgrid () const |
| Get array of all fields in r-space grid format. | |
| RField< D > const & | rgrid (int monomerId) const |
| Get the field for one monomer type in r-space grid format. | |
| bool | isAllocatedRGrid () const |
| Has memory been allocated for fields in r-grid format? | |
| bool | isAllocatedBasis () const |
| Has memory been allocated for fields in basis format? | |
| bool | hasData () const |
| Has field data been set in either format? | |
| bool | isSymmetric () const |
| Are fields symmetric under all elements of the space group? | |
| Protected Member Functions inherited from Pscf::Rp::WFields< D, RField< D >, FieldIo< D > > | |
| WFields () | |
| Constructor. | |
| ~WFields () | |
| Destructor. | |
| IntVec< D > const & | meshDimensions () const |
| Get mesh dimensions in each direction, set on r-grid allocation. | |
| int | meshSize () const |
| Get mesh size (number of grid points), set on r-grid allocation. | |
| int | nBasis () const |
| Get number of basis functions, set on basis allocation. | |
| int | nMonomer () const |
| Get number of monomer types. | |
| FieldIo< D > const & | fieldIo () const |
| Get associated FIT object (const reference). | |
Detailed Description
template<int D>
class Pscf::Rpc::WFields< D >
class Pscf::Rpc::WFields< D >
A container of fields stored in both basis and r-grid format.
Specializations of this template with D =1, 2, and 3 are derived from specializations of the base class template Rp::WFields, and inherit their public interface and all of their source code from this base class. See the documentation for this base class template for details.
Definition at line 36 of file rpc/field/WFields.h.
The documentation for this class was generated from the following file:
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