ReferencePointsInput Class Reference

Collaboration diagram for ReferencePointsInput:

Classes
class	ReferencePointsInputSection

Public Types
enum	Coord { CELL, CARTESIAN }
using	Real = double
using	Consumer = SpaceGrid
using	Point = TinyVector< Real, OHMMS_DIM >
using	Points = std::map< std::string, Point >

Public Member Functions
	ReferencePointsInput ()=default
	Unlike many input classes ReferencePointInputs needs a way to be constructured even if there is no input node. More...
	ReferencePointsInput (xmlNodePtr cur)
	ReferencePointsInput (const ReferencePointsInput &rpi)=default
Coord	get_coord_form () const
const Points &	get_points () const

Static Public Attributes
static const std::unordered_map< std::string, std::any >	lookup_input_enum_value
	mapping for enumerated options of ReferencePointsInput This data object is the basis of input enum string values translation to native C++ scoped enums. More...

Private Member Functions
void	readRefPointsXML (xmlNodePtr cur)

Private Attributes
Coord	coord_form_ = Coord::CELL
Points	points_
ReferencePointsInputSection	input_section_

Static Private Attributes
static constexpr std::string_view	error_tag {"ReferencePointsInput input: "}

Detailed Description

Definition at line 34 of file ReferencePointsInput.h.

Member Typedef Documentation

Consumer

using Consumer = SpaceGrid

Definition at line 38 of file ReferencePointsInput.h.

Point

using Point = TinyVector<Real, OHMMS_DIM>

Definition at line 39 of file ReferencePointsInput.h.

Points

using Points = std::map<std::string, Point>

Definition at line 40 of file ReferencePointsInput.h.

Real

using Real = double

Definition at line 37 of file ReferencePointsInput.h.

Member Enumeration Documentation

Coord

enum Coord

strong

Enumerator
CELL
CARTESIAN

Definition at line 41 of file ReferencePointsInput.h.

  {
    CELL,
    CARTESIAN
  };

Constructor & Destructor Documentation

ReferencePointsInput() [1/3]

ReferencePointsInput ( )

default

Unlike many input classes ReferencePointInputs needs a way to be constructured even if there is no input node.

The ReferencePoints for a space grid are assumed to just be a default ReferencePoints with the same CoordType.

ReferencePointsInput() [2/3]

ReferencePointsInput

(

xmlNodePtr

cur

)

Definition at line 26 of file ReferencePointsInput.cpp.

References ReferencePointsInput::coord_form_, ReferencePointsInput::input_section_, LAMBDA_setIfInInput, ReferencePointsInput::readRefPointsXML(), and InputSection::readXML().

{
  input_section_.readXML(cur);
  auto setIfInInput = LAMBDA_setIfInInput;
  setIfInInput(coord_form_, "coord");
  readRefPointsXML(cur);
}

ReferencePointsInput() [3/3]

ReferencePointsInput ( const ReferencePointsInput &  rpi )

default

Member Function Documentation

get_coord_form()

Coord get_coord_form ( ) const

inline

Definition at line 86 of file ReferencePointsInput.h.

References ReferencePointsInput::coord_form_.

Referenced by NEReferencePoints::NEReferencePoints().

{ return coord_form_; }

get_points()

const Points& get_points ( ) const

inline

Definition at line 87 of file ReferencePointsInput.h.

References ReferencePointsInput::points_.

Referenced by NEReferencePoints::NEReferencePoints().

{ return points_; }

readRefPointsXML()

void readRefPointsXML ( xmlNodePtr  cur )

private

Definition at line 38 of file ReferencePointsInput.cpp.

References error(), ReferencePointsInput::error_tag, OHMMS_DIM, ReferencePointsInput::points_, qmcplusplus::modernstrutil::split(), qmcplusplus::split(), qmcplusplus::strip(), and qmcplusplus::modernstrutil::strip().

Referenced by ReferencePointsInput::ReferencePointsInput().

{
  using modernstrutil::split;
  using modernstrutil::strip;

  // read refpoints values they are some sequence of value nodes
  std::string node_str{XMLNodeString{cur}};
  std::vector<std::string_view> lines = split(strip(node_str), "\n");
  for (int i = 0; i < lines.size(); i++)
  {
    auto stripped_line                   = strip(lines[i]);
    std::vector<std::string_view> tokens = split(stripped_line, " ");
    if (tokens.size() != OHMMS_DIM + 1)
    {
      std::ostringstream error;
      error << error_tag << "reference point has 4 entries, given " << tokens.size() << ": " << lines[i];
      throw UniformCommunicateError(error.str());
    }
    else
    {
      Point rp;
      for (int d = 0; d < OHMMS_DIM; d++)
      {
        try
        {
          rp[d] = std::stod(std::string(tokens[d + 1].begin(), tokens[d + 1].size()));
        }
        catch (const std::invalid_argument& ia)
        {
          throw UniformCommunicateError(ia.what());
        }
      }

      // This must be done in constructor of ReferencePoints
      // rp                = dot(crd, rp);
      points_[std::string(tokens[0].begin(), tokens[0].size())] = rp;
    }
  }
}

Member Data Documentation

coord_form_

Coord coord_form_ = Coord::CELL

private

Definition at line 92 of file ReferencePointsInput.h.

Referenced by ReferencePointsInput::get_coord_form(), and ReferencePointsInput::ReferencePointsInput().

error_tag

constexpr std::string_view error_tag {"ReferencePointsInput input: "}

staticprivate

Definition at line 95 of file ReferencePointsInput.h.

Referenced by ReferencePointsInput::readRefPointsXML().

input_section_

ReferencePointsInputSection input_section_

private

Definition at line 94 of file ReferencePointsInput.h.

Referenced by ReferencePointsInput::ReferencePointsInput().

lookup_input_enum_value

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

inlinestatic

Initial value:

{
      {"coord-cell", Coord::CELL},
      {"coord-cartesian", Coord::CARTESIAN},
  }

mapping for enumerated options of ReferencePointsInput This data object is the basis of input enum string values translation to native C++ scoped enums.

This boiler plate is generated by utils/code_tools/qmcpack-elisp-generators.el qmcp-add-enum-string-map

This plus the virtual assignAnyEnum method are needed by InputSection to validate and assign enum values from input.

In testing code we assume this map is bidirectional.

Definition at line 58 of file ReferencePointsInput.h.

Referenced by ReferencePointsInput::ReferencePointsInputSection::assignAnyEnum().

points_

Points points_

private

Definition at line 93 of file ReferencePointsInput.h.

Referenced by ReferencePointsInput::get_points(), and ReferencePointsInput::readRefPointsXML().

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