SpaceGridInput Class Reference

Collaboration diagram for SpaceGridInput:

Classes
class	SpaceGridAxisInput
class	SpaceGridInputSection
class	SpaceGridOriginInput

Public Types
enum	CoordForm { CARTESIAN = 0, CYLINDRICAL, SPHERICAL }
using	Consumer = SpaceGrid
using	Real = double
using	LabelSet = std::vector< std::string_view >

Public Member Functions
	SpaceGridInput (xmlNodePtr cur)
	SpaceGridInput (const SpaceGridInput &sgi)=default
CoordForm	get_coord_form () const
bool	isPeriodic () const
const std::array< std::string, OHMMS_DIM > &	get_axis_p1s () const
const std::array< std::string, OHMMS_DIM > &	get_axis_p2s () const
const std::array< Real, OHMMS_DIM > &	get_axis_scales () const
const std::array< std::string, OHMMS_DIM > &	get_axis_labels () const
const std::array< AxisGrid< Real >, OHMMS_DIM > &	get_axis_grids () const
const std::string &	get_origin_p1 () const
const std::string &	get_origin_p2 () const
Real	get_origin_fraction () const
const LabelSet &	get_axes_label_set () const
	axes_label_set accessor, avoids a bunch of switch statements at must be used because std::unordered_map::operator[] can't return a const reference More...

Static Public Attributes
static const std::unordered_map< std::string, std::any >	lookup_input_enum_value
static const LabelSet	ax_cartesian {"x", "y", "z"}
static const LabelSet	ax_cylindrical {"r", "phi", "z"}
static const LabelSet	ax_spherical {"r", "phi", "theta"}
static const std::unordered_map< CoordForm, LabelSet >	axes_label_sets

Private Member Functions
void	checkAxes (std::vector< std::any > &axes)
void	checkGrids ()

Private Attributes
SpaceGridInputSection	input_section_
CoordForm	coord_form_
std::string	origin_p1_ {"zero"}
std::string	origin_p2_ {""}
Real	origin_fraction_ {0.0}
std::array< std::string, OHMMS_DIM >	axis_labels_
std::array< std::string, OHMMS_DIM >	axis_p1s_
std::array< std::string, OHMMS_DIM >	axis_p2s_
std::array< Real, OHMMS_DIM >	axis_scales_
std::array< AxisGrid< Real >, OHMMS_DIM >	axis_grids_

Detailed Description

Definition at line 33 of file SpaceGridInput.h.

Member Typedef Documentation

Consumer

using Consumer = SpaceGrid

Definition at line 36 of file SpaceGridInput.h.

LabelSet

using LabelSet = std::vector<std::string_view>

Definition at line 53 of file SpaceGridInput.h.

Real

using Real = double

Definition at line 37 of file SpaceGridInput.h.

Member Enumeration Documentation

CoordForm

enum CoordForm

strong

Enumerator
CARTESIAN
CYLINDRICAL
SPHERICAL

Definition at line 39 of file SpaceGridInput.h.

  {
    CARTESIAN = 0,
    CYLINDRICAL,
    SPHERICAL
  };

Constructor & Destructor Documentation

SpaceGridInput() [1/2]

SpaceGridInput

(

xmlNodePtr

cur

)

Definition at line 69 of file SpaceGridInput.cpp.

References SpaceGridInput::axis_grids_, SpaceGridInput::axis_labels_, SpaceGridInput::axis_p1s_, SpaceGridInput::axis_p2s_, SpaceGridInput::axis_scales_, SpaceGridInput::checkAxes(), SpaceGridInput::checkGrids(), SpaceGridInput::coord_form_, InputSection::get(), InputSection::has(), SpaceGridInput::input_section_, LAMBDA_setIfInInput, OHMMS_DIM, SpaceGridInput::origin_fraction_, SpaceGridInput::origin_p1_, SpaceGridInput::origin_p2_, and InputSection::readXML().

{
  input_section_.readXML(cur);
  auto setIfInInput = LAMBDA_setIfInInput;
  setIfInInput(coord_form_, "coord");
  // rip open the axes inputs we're guarateed they have the proper dimensionality already

  auto axes = input_section_.get<std::vector<std::any>>("axis");
  checkAxes(axes);
  for (int d = 0; d < OHMMS_DIM; d++)
  {
    auto* axis_input = std::any_cast<SpaceGridAxisInput>(&axes[d]);
    axis_labels_[d]  = axis_input->get_label();
    axis_p1s_[d]     = axis_input->get_p1();
    axis_p2s_[d]     = axis_input->get_p2();
    axis_grids_[d]   = axis_input->get_grid();
    axis_scales_[d]  = axis_input->get_scale();
  }
  checkGrids();
  if (input_section_.has("origin"))
  {
    auto space_grid_origin = input_section_.get<SpaceGridOriginInput>("origin");
    origin_p1_             = space_grid_origin.get_p1();
    origin_p2_             = space_grid_origin.get_p2();
    origin_fraction_       = space_grid_origin.get_fraction();
  }
}

SpaceGridInput() [2/2]

SpaceGridInput ( const SpaceGridInput &  sgi )

default

Member Function Documentation

checkAxes()

void checkAxes ( std::vector< std::any > &  axes )

private

Definition at line 97 of file SpaceGridInput.cpp.

References SpaceGridInput::axes_label_sets, SpaceGridInput::coord_form_, InputSection::get(), SpaceGridInput::SpaceGridAxisInput::get_input(), and SpaceGridInput::input_section_.

Referenced by SpaceGridInput::SpaceGridInput().

{
  auto& ax_labels = axes_label_sets.at(coord_form_);
  for (auto& axis : axes)
  {
    auto* axis_input       = std::any_cast<SpaceGridAxisInput>(&axis);
    std::string axis_label = axis_input->get_input().template get<std::string>("label");
    auto result            = std::find(std::begin(ax_labels), std::end(ax_labels), axis_label);
    if (result == std::end(ax_labels))
      throw UniformCommunicateError(axis_label + " is not a valid label for coord form " +
                                    input_section_.get<std::string>("coord"));
  }
}

checkGrids()

void checkGrids ( )

private

Definition at line 111 of file SpaceGridInput.cpp.

References SpaceGridInput::axis_grids_, SpaceGridInput::axis_labels_, error(), and OHMMS_DIM.

Referenced by SpaceGridInput::SpaceGridInput().

{
  //check that all axis grid values fall in the allowed intervals for the coord label
  for (int d = 0; d < OHMMS_DIM; d++)
  {
    if (axis_labels_[d] == "r" || axis_labels_[d] == "phi" || axis_labels_[d] == "theta")
    {
      if (axis_grids_[d].umin < 0.0 || axis_grids_[d].umax > 1.0)
      {
        std::ostringstream error;
        error << " grid values for " << axis_labels_[d] << " must fall in [0,1]" << std::endl;
        error << " interval provided: [" << axis_grids_[d].umin << "," << axis_grids_[d].umax << "]" << std::endl;
        throw UniformCommunicateError(error.str());
      }
    }
    // all other legal labels {"x","y","z"} can be over -1.0 to 1.0 
    else if (axis_grids_[d].umin < -1.0 || axis_grids_[d].umax > 1.0)
    {
      std::ostringstream error;
      error << "  grid values for " << axis_labels_[d] << " must fall in [-1,1]" << std::endl;
      error << "  interval provided: [" << axis_grids_[d].umin << "," << axis_grids_[d].umax << "]" << std::endl;
      throw UniformCommunicateError(error.str());
    }
  }
}

get_axes_label_set()

const LabelSet& get_axes_label_set ( ) const

inline

axes_label_set accessor, avoids a bunch of switch statements at must be used because std::unordered_map::operator[] can't return a const reference

Definition at line 178 of file SpaceGridInput.h.

References SpaceGridInput::axes_label_sets, and SpaceGridInput::coord_form_.

{ return axes_label_sets.at(coord_form_); }

get_axis_grids()

const std::array<AxisGrid<Real>, OHMMS_DIM>& get_axis_grids ( ) const

inline

Definition at line 171 of file SpaceGridInput.h.

References SpaceGridInput::axis_grids_.

Referenced by qmcplusplus::TEST_CASE().

{ return axis_grids_; }

get_axis_labels()

const std::array<std::string, OHMMS_DIM>& get_axis_labels ( ) const

inline

Definition at line 170 of file SpaceGridInput.h.

References SpaceGridInput::axis_labels_.

Referenced by qmcplusplus::TEST_CASE().

{ return axis_labels_; }

get_axis_p1s()

const std::array<std::string, OHMMS_DIM>& get_axis_p1s ( ) const

inline

Definition at line 166 of file SpaceGridInput.h.

References SpaceGridInput::axis_p1s_.

Referenced by qmcplusplus::TEST_CASE().

{ return axis_p1s_; }

get_axis_p2s()

const std::array<std::string, OHMMS_DIM>& get_axis_p2s ( ) const

inline

Definition at line 167 of file SpaceGridInput.h.

References SpaceGridInput::axis_p2s_.

{ return axis_p2s_; }

get_axis_scales()

const std::array<Real, OHMMS_DIM>& get_axis_scales ( ) const

inline

Definition at line 169 of file SpaceGridInput.h.

References SpaceGridInput::axis_scales_.

Referenced by qmcplusplus::TEST_CASE().

{ return axis_scales_; }

get_coord_form()

CoordForm get_coord_form ( ) const

inline

Definition at line 164 of file SpaceGridInput.h.

References SpaceGridInput::coord_form_.

{ return coord_form_; }

get_origin_fraction()

Real get_origin_fraction ( ) const

inline

Definition at line 174 of file SpaceGridInput.h.

References SpaceGridInput::origin_fraction_.

Referenced by qmcplusplus::TEST_CASE().

{ return origin_fraction_; }

get_origin_p1()

const std::string& get_origin_p1 ( ) const

inline

Definition at line 172 of file SpaceGridInput.h.

References SpaceGridInput::origin_p1_.

Referenced by qmcplusplus::TEST_CASE().

{ return origin_p1_; }

get_origin_p2()

const std::string& get_origin_p2 ( ) const

inline

Definition at line 173 of file SpaceGridInput.h.

References SpaceGridInput::origin_p2_.

Referenced by qmcplusplus::TEST_CASE().

{ return origin_p2_; }

isPeriodic()

bool isPeriodic ( ) const

inline

Definition at line 165 of file SpaceGridInput.h.

References SpaceGridInput::coord_form_, SpaceGridInput::CYLINDRICAL, and SpaceGridInput::SPHERICAL.

{ return !(coord_form_ == CoordForm::CYLINDRICAL || coord_form_ == CoordForm::SPHERICAL); }

Member Data Documentation

ax_cartesian

const LabelSet ax_cartesian {"x", "y", "z"}

inlinestatic

Definition at line 55 of file SpaceGridInput.h.

ax_cylindrical

const LabelSet ax_cylindrical {"r", "phi", "z"}

inlinestatic

Definition at line 56 of file SpaceGridInput.h.

ax_spherical

const LabelSet ax_spherical {"r", "phi", "theta"}

inlinestatic

Definition at line 57 of file SpaceGridInput.h.

axes_label_sets

const std::unordered_map<CoordForm, LabelSet> axes_label_sets

inlinestatic

Initial value:

{{CoordForm::CARTESIAN, ax_cartesian},
                                                                               {CoordForm::CYLINDRICAL, ax_cylindrical},
                                                                               {CoordForm::SPHERICAL, ax_spherical}}

Definition at line 58 of file SpaceGridInput.h.

Referenced by SpaceGridInput::checkAxes(), and SpaceGridInput::get_axes_label_set().

axis_grids_

std::array<AxisGrid<Real>, OHMMS_DIM> axis_grids_

private

Definition at line 194 of file SpaceGridInput.h.

Referenced by SpaceGridInput::checkGrids(), SpaceGridInput::get_axis_grids(), and SpaceGridInput::SpaceGridInput().

axis_labels_

std::array<std::string, OHMMS_DIM> axis_labels_

private

Definition at line 190 of file SpaceGridInput.h.

Referenced by SpaceGridInput::checkGrids(), SpaceGridInput::get_axis_labels(), and SpaceGridInput::SpaceGridInput().

axis_p1s_

std::array<std::string, OHMMS_DIM> axis_p1s_

private

Definition at line 191 of file SpaceGridInput.h.

Referenced by SpaceGridInput::get_axis_p1s(), and SpaceGridInput::SpaceGridInput().

axis_p2s_

std::array<std::string, OHMMS_DIM> axis_p2s_

private

Definition at line 192 of file SpaceGridInput.h.

Referenced by SpaceGridInput::get_axis_p2s(), and SpaceGridInput::SpaceGridInput().

axis_scales_

std::array<Real, OHMMS_DIM> axis_scales_

private

Definition at line 193 of file SpaceGridInput.h.

Referenced by SpaceGridInput::get_axis_scales(), and SpaceGridInput::SpaceGridInput().

coord_form_

CoordForm coord_form_

private

Definition at line 185 of file SpaceGridInput.h.

Referenced by SpaceGridInput::checkAxes(), SpaceGridInput::get_axes_label_set(), SpaceGridInput::get_coord_form(), SpaceGridInput::isPeriodic(), and SpaceGridInput::SpaceGridInput().

input_section_

SpaceGridInputSection input_section_

private

Definition at line 184 of file SpaceGridInput.h.

Referenced by SpaceGridInput::checkAxes(), SpaceGridInput::SpaceGridInput(), and SpaceGridInput::SpaceGridOriginInput::SpaceGridOriginInput().

lookup_input_enum_value

const std::unordered_map<std::string, std::any> lookup_input_enum_value

inlinestatic

Initial value:

{{"coord-cartesian",
                                                                                         CoordForm::CARTESIAN},
                                                                                        {"coord-cylindrical",
                                                                                         CoordForm::CYLINDRICAL},
                                                                                        {"coord-spherical",
                                                                                         CoordForm::SPHERICAL}}

Definition at line 46 of file SpaceGridInput.h.

Referenced by SpaceGridInput::SpaceGridInputSection::assignAnyEnum().

origin_fraction_

Real origin_fraction_ {0.0}

private

Definition at line 189 of file SpaceGridInput.h.

Referenced by SpaceGridInput::get_origin_fraction(), and SpaceGridInput::SpaceGridInput().

origin_p1_

std::string origin_p1_ {"zero"}

private

Definition at line 187 of file SpaceGridInput.h.

Referenced by SpaceGridInput::get_origin_p1(), and SpaceGridInput::SpaceGridInput().

origin_p2_

std::string origin_p2_ {""}

private

Definition at line 188 of file SpaceGridInput.h.

Referenced by SpaceGridInput::get_origin_p2(), and SpaceGridInput::SpaceGridInput().

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The documentation for this class was generated from the following files:

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Estimators/SpaceGridInput.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Estimators/SpaceGridInput.cpp