1#ifndef PRDC_CL_DOMAIN_H
2#define PRDC_CL_DOMAIN_H
11#include <util/param/ParamComposite.h>
12#include <prdc/crystal/UnitCell.h>
13#include <pscf/mesh/Mesh.h>
18 template <
typename T>
class Signal;
19 template <>
class Signal<void>;
58 template <
int D,
class FFT,
class WLT,
class FIT>
222 return * fileMasterPtr_;
234 template <
int D,
class FFT,
class WLT,
class FIT>
236 {
return unitCell_; }
239 template <
int D,
class FFT,
class WLT,
class FIT>
241 {
return unitCell_; }
244 template <
int D,
class FFT,
class WLT,
class FIT>
249 template <
int D,
class FFT,
class WLT,
class FIT>
254 template <
int D,
class FFT,
class WLT,
class FIT>
259 template <
int D,
class FFT,
class WLT,
class FIT>
264 template <
int D,
class FFT,
class WLT,
class FIT>
266 {
return *waveListPtr_; }
269 template <
int D,
class FFT,
class WLT,
class FIT>
271 {
return *waveListPtr_; }
274 template <
int D,
class FFT,
class WLT,
class FIT>
276 {
return *fieldIoPtr_; }
279 template <
int D,
class FFT,
class WLT,
class FIT>
281 {
return *fieldIoPtr_; }
284 template <
int D,
class FFT,
class WLT,
class FIT>
virtual void readParameters(std::istream &in)
Read body of parameter block (without opening and closing lines).
Mesh< D > const & mesh() const
Get the Mesh by const reference.
Mesh< D > & mesh()
Get the Mesh by non-const reference.
FIT const & fieldIo() const
Get the FieldIo by const reference.
FFT & fft()
Get the FFT by non-const reference.
FIT & fieldIo()
Get the FieldIo by non-const reference.
WLT const & waveList() const
Get the WaveList by const reference.
UnitCell< D > & unitCell()
Get the UnitCell by non-const reference.
UnitCell< D > const & unitCell() const
Get the UnitCell by const reference.
void setFileMaster(FileMaster &fileMaster)
Create association with a FileMaster, needed by FieldIo.
FFT const & fft() const
Get the FFT object by non-const reference.
void readFieldHeader(std::istream &in, int &nMonomer)
Read initialization data from header of an r-grid field file.
WLT & waveList()
Get the WaveList by non-const reference.
UnitCell< D >::LatticeSystem lattice() const
Get the lattice system (enumeration value).
Description of a regular grid of points in a periodic domain.
Fourier transform wrapper.
Base template for UnitCell<D> classes, D=1, 2 or 3.
A FileMaster manages input and output files for a simulation.
ScalarParam< Type > & read(std::istream &in, const char *label, Type &value)
Add and read a new required ScalarParam < Type > object.
ScalarParam< Type > & readOptional(std::istream &in, const char *label, Type &value)
Add and read a new optional ScalarParam < Type > object.
ParamComposite()
Constructor.
Notifier (or subject) in the Observer design pattern.
#define UTIL_CHECK(condition)
Assertion macro suitable for serial or parallel production code.
Complex-valued periodic fields (class templates).
Periodic fields and crystallography.
PSCF package top-level namespace.
Utility classes for scientific computation.