InputSection Class Reference

Input section provides basic parsing and a uniform method of access to the raw parsed input. More...

Inheritance diagram for InputSection:

Collaboration diagram for InputSection:

Public Types
using	Real = QMCTraits::FullPrecRealType
using	Position = typename QMCTypes< Real, OHMMS_DIM >::PosType

Public Member Functions
	InputSection ()=default
	InputSection (const InputSection &other)=default
InputSection &	operator= (const InputSection &other)=default
bool	has (const std::string &name) const
template<typename T >
T	get (const std::string &name) const
template<typename T >
bool	setIfInInput (T &var, const std::string &tag)
	set var if input section has read the tag More...
void	readXML (xmlNodePtr cur)
	Read variable values (initialize) from XML input, call checkValid. More...
void	init (const std::unordered_map< std::string, std::any > &init_values)

Static Public Member Functions
template<typename ENUM_T >
static std::string	reverseLookupInputEnumMap (ENUM_T enum_val, const std::unordered_map< std::string, std::any > &enum_map)
	Get string represtation of enum class type value from enum_val. More...

Protected Types
using	DelegateHandler = std::function< std::any(xmlNodePtr cur, std::string &value_name)>
	Function that returns Input class as std::any. More...

Protected Member Functions
void	readAttributes (xmlNodePtr cur, const std::string &element_name, const std::vector< std::string > &do_not_consume)
	reads attributes for both the root node and parameter/child nodes that aren't delegated. More...
void	registerDelegate (const std::string &tag, DelegateHandler delegate_handler)
	register factory function for delegate input More...
virtual void	checkParticularValidity ()
	Do validation for a particular subtype of InputSection Called by check_valid. More...
virtual std::any	assignAnyEnum (const std::string &tag) const
	Derived class overrides this to get proper assignment of scoped enum values. More...
virtual void	setFromStreamCustom (const std::string &ename, const std::string &name, std::istringstream &svalue)
	Derived class can overrides this to do custom parsing of the element values for Custom elements These can have a name attribute only. More...
void	report () const
void	report (std::ostream &out) const

Static Protected Member Functions
static std::any	lookupAnyEnum (const std::string &enum_name, const std::string &enum_value, const std::unordered_map< std::string, std::any > &enum_map)
	Assign any enum helper for InputSection derived class assumes enum lookup table of this form: inline static const std::unordered_map<std::string, std::any> lookup_input_enum_value{{"integrator-uniform_grid", Integrator::UNIFORM_GRID}, {"integrator-uniform", Integrator::UNIFORM}, {"integrator-density", Integrator::DENSITY}, {"evaluator-loop", Evaluator::LOOP}, {"evaluator-matrix", Evaluator::MATRIX}};. More...

Protected Attributes
std::string	section_name
	"Name" of the input section, you must define this in the subtype and the ename, name, type, or method must match. More...
std::vector< std::string >	section_name_alternates
	For historical reasons some sections must recognize several different names. Assign them to this variable in your subtype. More...
std::unordered_set< std::string >	attributes
std::unordered_set< std::string >	parameters
std::unordered_set< std::string >	delegates
std::unordered_set< std::string >	required
std::unordered_set< std::string >	multiple
std::unordered_set< std::string >	strings
std::unordered_set< std::string >	multi_strings
std::unordered_set< std::string >	multi_reals
std::unordered_set< std::string >	bools
std::unordered_set< std::string >	integers
std::unordered_set< std::string >	reals
std::unordered_set< std::string >	positions
std::unordered_set< std::string >	custom
std::unordered_set< std::string >	enums
	list of enum inputs which allow a finite set of strings to map to enum values The enum class types and values need only be known to IS subtypes More...
std::unordered_map< std::string, std::any >	default_values
std::unordered_map< std::string, std::function< std::any(xmlNodePtr cur, std::string &value_key)> >	delegate_factories_
std::unordered_map< std::string, std::any >	values_

Private Member Functions
bool	isAttribute (const std::string &name) const
bool	isDelegate (const std::string &name) const
bool	isParameter (const std::string &name) const
bool	isRequired (const std::string &name) const
bool	isMultiple (const std::string &name) const
bool	isEnumString (const std::string &name) const
bool	isString (const std::string &name) const
bool	isMultiString (const std::string &name) const
bool	isMultiReal (const std::string &name) const
bool	isBool (const std::string &name) const
bool	isInteger (const std::string &name) const
bool	isReal (const std::string &name) const
bool	isPosition (const std::string &name) const
bool	isCustom (const std::string &name) const
bool	has_default (const std::string &name) const
void	setDefaults ()
void	setFromStream (const std::string &name, std::istringstream &svalue)
void	setFromValue (const std::string &name, const std::any &svalue)
	Coerce input collected via init into types matching the definition of the input types defined in the InputSection subtype constructor. More...
template<typename T >
void	assignValue (const std::string &name, const T &value)
	assign value into unordered map respecting values multiplicity It is a fatal exception to assign to a singular existing value. More...
void	handleDelegate (const std::string &ename, const xmlNodePtr element)
	factor out delegate handling code for sanity. More...
void	checkValid ()
	Check validity of inputs. More...

Detailed Description

Input section provides basic parsing and a uniform method of access to the raw parsed input.

It is still expected to be a composed part of the actual input class for a simulation class. It does not operate at reduced precision, i.e. numerical input is always parsed and retrieved at full precision. Gettting values from input section is strongly typed so you will get errors if you try to get numeric types at reduced precision.

Definition at line 37 of file InputSection.h.

Member Typedef Documentation

DelegateHandler

using DelegateHandler = std::function<std::any(xmlNodePtr cur, std::string& value_name)>

protected

Function that returns Input class as std::any.

Parameters

[in]	cur	xml_node being delegated by the Input Class
[out]	value_name	string key value to store the delegate with

Definition at line 183 of file InputSection.h.

Position

using Position = typename QMCTypes<Real, OHMMS_DIM>::PosType

Definition at line 41 of file InputSection.h.

Real

using Real = QMCTraits::FullPrecRealType

Definition at line 40 of file InputSection.h.

Constructor & Destructor Documentation

InputSection() [1/2]

InputSection ( )

default

InputSection() [2/2]

InputSection ( const InputSection &  other )

default

Member Function Documentation

assignAnyEnum()

std::any assignAnyEnum ( const std::string &  tag ) const

protectedvirtual

Derived class overrides this to get proper assignment of scoped enum values.

In most cases all you'll need it to define the map and write: std::any DerivedInputSection::assignAnyEnum(const std::string& name) const { return lookupAnyEnum(name, get<std::string>(name), derived_input_lookup_enum); }

See test_InputSection.cpp and OneBodyDensityMatricesInput You really should do this if your input class has a finite set of string values for an input example: OneBodyDensityMatricesInput

can't be bothered then just define your enum option as a string.

Reimplemented in SpaceGridInput::SpaceGridInputSection, MagnetizationDensityInput::MagnetizationDensityInputSection, OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection, TestInputSection, and ReferencePointsInput::ReferencePointsInputSection.

Definition at line 20 of file InputSection.cpp.

Referenced by InputSection::get().

{
  throw UniformCommunicateError("derived class must provide assignAnyEnum method if enum parameters are used");
}

assignValue()

void assignValue ( const std::string &  name, const T &  value  )

private

assign value into unordered map respecting values multiplicity It is a fatal exception to assign to a singular existing value.

If the value isMultiple i.e. the value can legally appear multiple times in the input a vector of those values is built up at the key in the value map. If the value is never assigned to there is not an empty vector and that value is undefined in the map.

Definition at line 259 of file InputSection.cpp.

References InputSection::has(), InputSection::isMultiple(), InputSection::section_name, and InputSection::values_.

Referenced by InputSection::handleDelegate(), InputSection::setFromStream(), and InputSection::setFromValue().

{
  if (has(name) && !isMultiple(name))
    throw UniformCommunicateError("Input is invalid  " + section_name + " contains " + name +
                                  " node with duplicate name!");

  if (!isMultiple(name))
    values_[name] = value;
  else
  {
    if (has(name))
      std::any_cast<std::vector<T>&>(values_[name]).push_back(value);
    else
      values_[name] = std::vector<T>{value};
  }
}

checkParticularValidity()

virtual void checkParticularValidity ( )

inlineprotectedvirtual

Do validation for a particular subtype of InputSection Called by check_valid.

Default implementation is noop The InputSection subtype should make all correctness checks reasonable at parse time.

Reimplemented in SpaceGridInput::SpaceGridInputSection, MagnetizationDensityInput::MagnetizationDensityInputSection, and OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection.

Definition at line 195 of file InputSection.h.

Referenced by InputSection::checkValid().

{}

checkValid()

void checkValid ( )

private

Check validity of inputs.

This class just checks if required values_ are present and calls checkParticularValidity which the InputSection subtype should override.

Definition at line 307 of file InputSection.cpp.

References InputSection::checkParticularValidity(), error(), InputSection::has(), InputSection::required, and InputSection::section_name.

Referenced by InputSection::init(), and InputSection::readXML().

{
  // check that all required inputs are present
  for (auto& name : required)
    if (!has(name))
    {
      std::stringstream error;
      error << "InputSection::check_valid required variable " << name << " in " << section_name
            << " has not been assigned\n";
      throw UniformCommunicateError(error.str());
    }
  checkParticularValidity();
};

get()

T get ( const std::string &  name ) const

inline

Definition at line 92 of file InputSection.h.

References InputSection::assignAnyEnum(), and InputSection::values_.

Referenced by SpaceGridInput::checkAxes(), SpaceGridInput::SpaceGridInput(), qmcplusplus::TEST_CASE(), and WalkerLogManager::WalkerLogManager().

  {
    if constexpr (std::is_enum<T>::value)
    {
      std::any any_enum = assignAnyEnum(name);
      return std::any_cast<T>(any_enum);
    }
    else
    {
      try
      {
        return std::any_cast<T>(values_.at(name));
      }
      catch (...)
      {
        std::throw_with_nested(UniformCommunicateError("Could not access value with name " + name));
      }
    }
  }

handleDelegate()

void handleDelegate ( const std::string &  ename, const xmlNodePtr  element  )

private

factor out delegate handling code for sanity.

Definition at line 69 of file InputSection.cpp.

References InputSection::assignValue(), and InputSection::delegate_factories_.

Referenced by InputSection::readXML().

{
  assert(delegate_factories_.find(ename) != delegate_factories_.end());
  std::string value_key;
  std::any value = delegate_factories_[ename](element, value_key);

  assignValue(value_key, value);
}

has()

bool has ( const std::string &  name ) const

inline

Definition at line 87 of file InputSection.h.

References InputSection::values_.

Referenced by InputSection::assignValue(), qmcplusplus::estimatorinput::checkCenterCorner(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::checkParticularValidity(), InputSection::checkValid(), InputSection::setDefaults(), InputSection::setIfInInput(), SpaceGridInput::SpaceGridInput(), and qmcplusplus::TEST_CASE().

{ return values_.find(name) != values_.end(); }

has_default()

bool has_default ( const std::string &  name ) const

inlineprivate

Definition at line 260 of file InputSection.h.

References InputSection::default_values.

{ return default_values.find(name) != default_values.end(); }

init()

void init

(

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

init_values

)

Definition at line 176 of file InputSection.cpp.

References InputSection::checkValid(), InputSection::setDefaults(), and InputSection::setFromValue().

Referenced by qmcplusplus::TEST_CASE().

{
  // assign inputted values
  for (auto& [name, value] : init_values)
    setFromValue(name, value);

  // assign default values for optional variables
  setDefaults();

  // check input validity
  checkValid();
  //report();
}

isAttribute()

bool isAttribute ( const std::string &  name ) const

inlineprivate

Definition at line 246 of file InputSection.h.

References InputSection::attributes.

Referenced by InputSection::readAttributes().

{ return attributes.find(name) != attributes.end(); }

isBool()

bool isBool ( const std::string &  name ) const

inlineprivate

Definition at line 255 of file InputSection.h.

References InputSection::bools.

Referenced by InputSection::report(), InputSection::setFromStream(), and InputSection::setFromValue().

{ return bools.find(name) != bools.end(); }

isCustom()

bool isCustom ( const std::string &  name ) const

inlineprivate

Definition at line 259 of file InputSection.h.

References InputSection::custom.

Referenced by InputSection::readAttributes(), and InputSection::readXML().

{ return custom.find(name) != custom.end(); }

isDelegate()

bool isDelegate ( const std::string &  name ) const

inlineprivate

Definition at line 247 of file InputSection.h.

References InputSection::delegates.

Referenced by InputSection::readXML().

{ return delegates.find(name) != delegates.end(); }

isEnumString()

bool isEnumString ( const std::string &  name ) const

inlineprivate

Definition at line 251 of file InputSection.h.

References InputSection::enums.

Referenced by InputSection::setFromStream(), and InputSection::setFromValue().

{ return enums.find(name) != enums.end(); }

isInteger()

bool isInteger ( const std::string &  name ) const

inlineprivate

Definition at line 256 of file InputSection.h.

References InputSection::integers.

Referenced by InputSection::report(), InputSection::setFromStream(), and InputSection::setFromValue().

{ return integers.find(name) != integers.end(); }

isMultiple()

bool isMultiple ( const std::string &  name ) const

inlineprivate

Definition at line 250 of file InputSection.h.

References InputSection::multiple.

Referenced by InputSection::assignValue().

{ return multiple.find(name) != multiple.end(); }

isMultiReal()

bool isMultiReal ( const std::string &  name ) const

inlineprivate

Definition at line 254 of file InputSection.h.

References InputSection::multi_reals.

Referenced by InputSection::setFromStream(), and InputSection::setFromValue().

{ return multi_reals.find(name) != multi_reals.end(); }

isMultiString()

bool isMultiString ( const std::string &  name ) const

inlineprivate

Definition at line 253 of file InputSection.h.

References InputSection::multi_strings.

Referenced by InputSection::setFromStream(), and InputSection::setFromValue().

{ return multi_strings.find(name) != multi_strings.end(); }

isParameter()

bool isParameter ( const std::string &  name ) const

inlineprivate

Definition at line 248 of file InputSection.h.

References InputSection::parameters.

Referenced by InputSection::readXML().

{ return parameters.find(name) != parameters.end(); }

isPosition()

bool isPosition ( const std::string &  name ) const

inlineprivate

Definition at line 258 of file InputSection.h.

References InputSection::positions.

Referenced by InputSection::setFromStream(), and InputSection::setFromValue().

{ return positions.find(name) != positions.end(); }

isReal()

bool isReal ( const std::string &  name ) const

inlineprivate

Definition at line 257 of file InputSection.h.

References InputSection::reals.

Referenced by InputSection::report(), InputSection::setFromStream(), and InputSection::setFromValue().

{ return reals.find(name) != reals.end(); }

isRequired()

bool isRequired ( const std::string &  name ) const

inlineprivate

Definition at line 249 of file InputSection.h.

References InputSection::required.

{ return required.find(name) != required.end(); }

isString()

bool isString ( const std::string &  name ) const

inlineprivate

Definition at line 252 of file InputSection.h.

References InputSection::strings.

Referenced by InputSection::report(), InputSection::setFromStream(), and InputSection::setFromValue().

{ return strings.find(name) != strings.end(); }

lookupAnyEnum()

std::any lookupAnyEnum ( const std::string &  enum_name, const std::string &  enum_value, const std::unordered_map< std::string, std::any > &  enum_map  )

staticprotected

Assign any enum helper for InputSection derived class assumes enum lookup table of this form: inline static const std::unordered_map<std::string, std::any> lookup_input_enum_value{{"integrator-uniform_grid", Integrator::UNIFORM_GRID}, {"integrator-uniform", Integrator::UNIFORM}, {"integrator-density", Integrator::DENSITY}, {"evaluator-loop", Evaluator::LOOP}, {"evaluator-matrix", Evaluator::MATRIX}};.

Definition at line 341 of file InputSection.cpp.

References qmcplusplus::lowerCase().

Referenced by ReferencePointsInput::ReferencePointsInputSection::assignAnyEnum(), TestInputSection::assignAnyEnum(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::assignAnyEnum(), and MagnetizationDensityInput::MagnetizationDensityInputSection::assignAnyEnum().

{
  std::string enum_value_str(lowerCase(enum_name + "-" + enum_value));
  try
  {
    return enum_map.at(enum_value_str);
  }
  catch (std::out_of_range& oor_exc)
  {
    std::throw_with_nested(UniformCommunicateError("bad_enum_tag_value: " + enum_value_str));
  }
}

operator=()

InputSection& operator= ( const InputSection &  other )

default

readAttributes()

void readAttributes ( xmlNodePtr  cur, const std::string &  element_name, const std::vector< std::string > &  do_not_consume  )

protected

reads attributes for both the root node and parameter/child nodes that aren't delegated.

Side effect only method updates values_.

Parameters

[in]	cur	current xml node
[in]	element_name	qualifying identifier with respect to the InputSection root node for the atttributes.
[in]	do_not_consume	drop attributes used for element identification instead of the element name (this has complicated semantics in QMCPACK input) when a parameter has an ename="parameter" and the name attribute is used to identify the parameter we do not consume i.e. parse that name into the values_. If a top level section's indentifier is a name or type attribute we also need to avoid consuming it. Ideally any child node of significant complexity would be delegated to another input section.

Definition at line 33 of file InputSection.cpp.

References castXMLCharToChar(), error(), InputSection::isAttribute(), InputSection::isCustom(), qmcplusplus::lowerCase(), InputSection::section_name, InputSection::setFromStream(), and InputSection::setFromStreamCustom().

Referenced by InputSection::readXML().

{
  xmlAttrPtr att = cur->properties;
  while (att != NULL)
  {
    // unsafe att->name is an xmlChar, xmlChar is a UTF-8 byte
    std::string name{lowerCase(castXMLCharToChar(att->name))};
    // issue here is that we don't want to consume the name of the parameter as that has a special status in a parameter tag.
    // This is due to the <parameter name="parameter_name>  == <parameter_name> tag equivalence :(
    std::string qualified_name{((element_name.size() > 0 && element_name != "parameter") ? (element_name + "::") : "") +
                               name};

    // Since parameters don't get a qualified name this will still prevent consumption of any of the do_not_consume attributes from them
    if (std::any_of(do_not_consume.begin(), do_not_consume.end(), [&name](auto& dnc) { return name == dnc; }))
    {
      att = att->next;
      continue;
    }

    if (!isAttribute(qualified_name))
    {
      std::stringstream error;
      error << "InputSection::readXML name " << name << " is not an attribute of " << section_name << "\n";
      throw UniformCommunicateError(error.str());
    }
    std::istringstream stream(castXMLCharToChar(att->children->content));
    if (isCustom(name))
      setFromStreamCustom(element_name, qualified_name, stream);
    else
      setFromStream(qualified_name, stream);
    att = att->next;
  }
}

readXML()

void readXML

(

xmlNodePtr

cur

)

Read variable values (initialize) from XML input, call checkValid.

Ideally this will always be called from the constructor of an input class the InputSection is defined in the scope of.

Definition at line 78 of file InputSection.cpp.

References castXMLCharToChar(), InputSection::checkValid(), error(), getXMLAttributeValue(), InputSection::handleDelegate(), InputSection::isCustom(), InputSection::isDelegate(), InputSection::isParameter(), qmcplusplus::lowerCase(), InputSection::readAttributes(), InputSection::section_name, InputSection::section_name_alternates, InputSection::setDefaults(), InputSection::setFromStream(), and InputSection::setFromStreamCustom().

Referenced by CSLocalEnergyInput::CSLocalEnergyInput(), LocalEnergyInput::LocalEnergyInput(), MagnetizationDensityInput::MagnetizationDensityInput(), MomentumDistributionInput::MomentumDistributionInput(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInput(), PerParticleHamiltonianLoggerInput::PerParticleHamiltonianLoggerInput(), QMCDriverNew::putWalkerLogs(), ReferencePointsInput::ReferencePointsInput(), RMCLocalEnergyInput::RMCLocalEnergyInput(), SelfHealingOverlapInput::SelfHealingOverlapInput(), SpaceGridInput::SpaceGridAxisInput::SpaceGridAxisInput(), SpaceGridInput::SpaceGridInput(), SpaceGridInput::SpaceGridOriginInput::SpaceGridOriginInput(), qmcplusplus::TEST_CASE(), and WalkerLogInput::WalkerLogInput().

{
  assert(cur != nullptr);
  // For historical reasons that actual "type" of the element/input section is expressed in a very inconsistent way.
  // It could be coded via the element name i.e. the tag, or at minimum a method, type, or name attribute.
  std::string section_ename{lowerCase(castXMLCharToChar(cur->name))};
  std::string section_method(lowerCase(getXMLAttributeValue(cur, "method")));
  std::string section_type(lowerCase(getXMLAttributeValue(cur, "type")));
  std::string section_name_actual(lowerCase(getXMLAttributeValue(cur, "name")));
  // at anyrate one of these must match the section_name.
  std::string lcase_section_name{lowerCase(section_name)};

  auto checkSectionName = [&section_name            = section_name,
                           &section_name_alternates = section_name_alternates](auto& possible_sname) {
    std::string lcase_section_name{lowerCase(section_name)};
    if (possible_sname == lcase_section_name)
      return true;
    if (section_name_alternates.size() > 0)
      return std::any_of(section_name_alternates.begin(), section_name_alternates.end(),
                         [&possible_sname](auto& name_alternate) {
                           std::string lcase_alternate{lowerCase(name_alternate)};
                           return possible_sname == lcase_alternate;
                         });
    return false;
  };

  if (!(checkSectionName(section_ename) || checkSectionName(section_method) || checkSectionName(section_type) ||
        checkSectionName(section_name_actual)))
  {
    std::stringstream error;
    error << "Input is invalid \"" << lcase_section_name << "\" does not match a defined input node!";
    throw UniformCommunicateError(error.str());
  }

  // these attributes don't get an element name passed to them because by convention we save and define them unqualified.
  readAttributes(cur, "", {"type"});
  // read parameters
  xmlNodePtr element = cur->xmlChildrenNode;
  while (element != NULL)
  {
    // ename is the "name" of the XML element i.e. <ename [attributes]>
    std::string ename{lowerCase(castXMLCharToChar(element->name))};
    // value of the elements attribute = name
    std::string name(lowerCase(getXMLAttributeValue(element, "name")));
    // we need both ename and name to figure out how to handle an element because of the <parameter name="actual_parameter"> pattern.
    // If the name attribute isn't there it should equal the element name.
    if (name.size() < 1)
      name = ename;

    if (isDelegate(ename))
    {
      handleDelegate(ename, element);
    }
    else if (isCustom(ename))
    {
      std::istringstream stream(XMLNodeString{element});
      setFromStreamCustom(ename, name, stream);
    }
    else if (ename == "parameter" || isParameter(ename))
    {
      if (ename == "parameter")
        ename = name;
      else
        // We do this because the semantics of parameters are such that name can not have a unique value because
        // if it did have one that the equivalence of <parameter_name> and <parameter name="parameter_name"> would
        // be broken. Input code being ported could depend on this an an invariant.
        name = ename;
      if (!isParameter(ename))
      {
        std::stringstream error;
        error << "InputSection::readXML name " << name << " is not a parameter of " << section_name << "\n";
        throw UniformCommunicateError(error.str());
      }

      std::istringstream stream(XMLNodeString{element});
      setFromStream(name, stream);
      readAttributes(element, name, {"name"});
    }
    else if (ename != "text")
    {
      std::stringstream error;
      error << "InputSection::readXML node name " << ename << " is not handled by InputSection subtype " << section_name
            << "\n";
      throw UniformCommunicateError(error.str());
    }
    // else can't be an error case because this is how the whitespace text nodes
    element = element->next;
  }

  // assign default values for optional variables
  setDefaults();

  // check input validity
  checkValid();
  //report();
}

registerDelegate()

void registerDelegate ( const std::string &  tag, DelegateHandler  delegate_handler  )

protected

register factory function for delegate input

Parameters

[in]	tag	parmater name or node ename delgation is controlled by
[in]	delegate_handler	factory function for delegated input function.

Definition at line 190 of file InputSection.cpp.

References InputSection::delegate_factories_.

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

{
  delegate_factories_[tag] = factory;
}

report() [1/2]

void report ( ) const

protected

Definition at line 339 of file InputSection.cpp.

References qmcplusplus::app_log().

{ report(app_log()); }

report() [2/2]

void report ( std::ostream &  out ) const

protected

Definition at line 321 of file InputSection.cpp.

References InputSection::isBool(), InputSection::isInteger(), InputSection::isReal(), InputSection::isString(), InputSection::section_name, and InputSection::values_.

{
  out << "\n" << section_name;
  for (auto& [name, value] : values_)
  {
    out << "\n  " << name << " = ";
    if (isString(name))
      out << std::any_cast<std::string>(value);
    else if (isBool(name))
      out << std::any_cast<bool>(value);
    else if (isInteger(name))
      out << std::any_cast<int>(value);
    else if (isReal(name))
      out << std::any_cast<Real>(value);
  }
  out << "\n\n";
}

reverseLookupInputEnumMap()

static std::string reverseLookupInputEnumMap ( ENUM_T  enum_val, const std::unordered_map< std::string, std::any > &  enum_map  )

inlinestatic

Get string represtation of enum class type value from enum_val.

work around the lack of a bidirectional std c++ map type.

Definition at line 148 of file InputSection.h.

Referenced by qmcplusplus::TEST_CASE().

  {
    std::string lookup_str = "not found";
    for (const auto& enum_node : enum_map)
    {
      if (enum_node.second.type() == typeid(decltype(enum_val)) &&
          enum_val == std::any_cast<decltype(enum_val)>(enum_node.second))
      {
        lookup_str = enum_node.first;
        break;
      }
    }
    return lookup_str;
  }

setDefaults()

void setDefaults ( )

private

Definition at line 196 of file InputSection.cpp.

References InputSection::default_values, InputSection::has(), and InputSection::setFromValue().

Referenced by InputSection::init(), and InputSection::readXML().

{
  for (auto& [name, default_value] : default_values)
    if (!has(name))
      setFromValue(name, default_value);
}

setFromStream()

void setFromStream ( const std::string &  name, std::istringstream &  svalue  )

private

Definition at line 203 of file InputSection.cpp.

References InputSection::assignValue(), error(), InputSection::isBool(), InputSection::isEnumString(), InputSection::isInteger(), InputSection::isMultiReal(), InputSection::isMultiString(), InputSection::isPosition(), InputSection::isReal(), InputSection::isString(), and InputSection::section_name.

Referenced by InputSection::readAttributes(), and InputSection::readXML().

{
  if (isString(name) || isEnumString(name))
  {
    std::string value;
    svalue >> value;
    assignValue(name, value);
  }
  else if (isMultiString(name))
  {
    std::vector<std::string> string_values;
    for (std::string value; svalue >> value;)
      string_values.push_back(value);
    assignValue(name, string_values);
  }
  else if (isMultiReal(name))
  {
    std::vector<Real> real_values;
    for (Real value; svalue >> value;)
      real_values.push_back(static_cast<Real>(value));
    assignValue(name, real_values);
  }
  else if (isBool(name))
  {
    std::string sval;
    svalue >> sval;
    bool value = sval == "yes" || sval == "true" || sval == "1";
    assignValue(name, value);
  }
  else if (isInteger(name))
  {
    int value;
    svalue >> value;
    assignValue(name, value);
  }
  else if (isReal(name))
  {
    Real value;
    svalue >> value;
    assignValue(name, Real(value));
  }
  else if (isPosition(name))
  {
    Position value;
    svalue >> value;
    assignValue(name, value);
  }
  else
  {
    std::stringstream error;
    error << "InputSection::set_from_stream name " << name << " in " << section_name << " does not have a type\n";
    throw UniformCommunicateError(error.str());
  }
}

setFromStreamCustom()

void setFromStreamCustom ( const std::string &  ename, const std::string &  name, std::istringstream &  svalue  )

protectedvirtual

Derived class can overrides this to do custom parsing of the element values for Custom elements These can have a name attribute only.

Parameters

[in]	ename	name of the element svalue comes from, top level attributes do not have ename.
[in]	name	name of the attribute
[in]	svalue	input stream consisting of the contents of one element. It is expected that your custom stream handler will consume this entirely.

Reimplemented in CustomTestInput, and SpaceGridInput::SpaceGridAxisInput::SpaceGridAxisInputSection.

Definition at line 25 of file InputSection.cpp.

Referenced by InputSection::readAttributes(), and InputSection::readXML().

{
  throw UniformCommunicateError("derived class must provide handleCustom method if custom parameters are used");
}

setFromValue()

void setFromValue ( const std::string &  name, const std::any &  svalue  )

private

Coerce input collected via init into types matching the definition of the input types defined in the InputSection subtype constructor.

Definition at line 276 of file InputSection.cpp.

References InputSection::assignValue(), error(), InputSection::isBool(), InputSection::isEnumString(), InputSection::isInteger(), InputSection::isMultiReal(), InputSection::isMultiString(), InputSection::isPosition(), InputSection::isReal(), InputSection::isString(), and InputSection::section_name.

Referenced by InputSection::init(), and InputSection::setDefaults().

{
  try
  {
    if (isString(name) || isEnumString(name))
      assignValue(name, std::any_cast<std::string>(value));
    else if (isMultiString(name))
      assignValue(name, std::any_cast<std::vector<std::string>>(value));
    else if (isMultiReal(name))
      assignValue(name, std::any_cast<std::vector<std::string>>(value));
    else if (isBool(name))
      assignValue(name, std::any_cast<bool>(value));
    else if (isInteger(name))
      assignValue(name, std::any_cast<int>(value));
    else if (isReal(name))
      assignValue(name, std::any_cast<Real>(value));
    else if (isPosition(name))
      assignValue(name, std::any_cast<Position>(value));
    else
    {
      std::stringstream error;
      error << "InputSection::set_from_value name " << name << " in " << section_name << " does not have a type\n";
      throw UniformCommunicateError(error.str());
    }
  }
  catch (const std::bad_cast& exc)
  {
    std::throw_with_nested(UniformCommunicateError("std::any_cast failed in setFromValue for name:" + name));
  }
}

setIfInInput()

template bool setIfInInput< ReferencePointsInput::Coord > ( T &  var, const std::string &  tag  )

inline

set var if input section has read the tag

Parameters

[out]	var	external variable to be set if tag was defined
[in]	tag	string tag of value could be parameter or atttribute name

Returns

whether input section has tag

use this is you prefer have native c++ types for input class members as well as set default via native c++ declaration. See OneBodyDensityMatricesInput for example.

Definition at line 122 of file InputSection.h.

References InputSection::has().

Referenced by MomentumDistributionInput::MomentumDistributionInput().

  {
    if (has(tag))
    {
      var = get<T>(tag);
      return true;
    }
    else
      return false;
  }

Member Data Documentation

attributes

std::unordered_set<std::string> attributes

protected

Definition at line 62 of file InputSection.h.

Referenced by CSLocalEnergyInput::CSLocalEnergyInputSection::CSLocalEnergyInputSection(), InputSection::isAttribute(), LocalEnergyInput::LocalEnergyInputSection::LocalEnergyInputSection(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), MomentumDistributionInput::MomentumDistributionInputSection::MomentumDistributionInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), PerParticleHamiltonianLoggerInput::PerParticleHamiltonianLoggerInputSection::PerParticleHamiltonianLoggerInputSection(), ReferencePointsInput::ReferencePointsInputSection::ReferencePointsInputSection(), RMCLocalEnergyInput::RMCLocalEnergyInputSection::RMCLocalEnergyInputSection(), SelfHealingOverlapInput::SelfHealingOverlapInputSection::SelfHealingOverlapInputSection(), SpaceGridInput::SpaceGridAxisInput::SpaceGridAxisInputSection::SpaceGridAxisInputSection(), SpaceGridInput::SpaceGridInputSection::SpaceGridInputSection(), SpaceGridInput::SpaceGridOriginInput::SpaceGridOriginInputSection::SpaceGridOriginInputSection(), TestInputSection::TestInputSection(), and WalkerLogInput::WalkerLogInput().

bools

std::unordered_set<std::string> bools

protected

Definition at line 70 of file InputSection.h.

Referenced by InputSection::isBool(), LocalEnergyInput::LocalEnergyInputSection::LocalEnergyInputSection(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), PerParticleHamiltonianLoggerInput::PerParticleHamiltonianLoggerInputSection::PerParticleHamiltonianLoggerInputSection(), TestInputSection::TestInputSection(), and WalkerLogInput::WalkerLogInput().

custom

std::unordered_set<std::string> custom

protected

Definition at line 74 of file InputSection.h.

Referenced by InputSection::isCustom(), and SpaceGridInput::SpaceGridAxisInput::SpaceGridAxisInputSection::SpaceGridAxisInputSection().

default_values

std::unordered_map<std::string, std::any> default_values

protected

Definition at line 79 of file InputSection.h.

Referenced by InputSection::has_default(), SelfHealingOverlapInput::SelfHealingOverlapInputSection::SelfHealingOverlapInputSection(), InputSection::setDefaults(), TestInputSection::TestInputSection(), and WalkerLogInput::WalkerLogInput().

delegate_factories_

std::unordered_map<std::string, std::function<std::any(xmlNodePtr cur, std::string& value_key)> > delegate_factories_

protected

Definition at line 80 of file InputSection.h.

Referenced by InputSection::handleDelegate(), and InputSection::registerDelegate().

delegates

std::unordered_set<std::string> delegates

protected

Definition at line 64 of file InputSection.h.

Referenced by InputSection::isDelegate(), and SpaceGridInput::SpaceGridInputSection::SpaceGridInputSection().

enums

std::unordered_set<std::string> enums

protected

list of enum inputs which allow a finite set of strings to map to enum values The enum class types and values need only be known to IS subtypes

Definition at line 78 of file InputSection.h.

Referenced by InputSection::isEnumString(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), ReferencePointsInput::ReferencePointsInputSection::ReferencePointsInputSection(), SpaceGridInput::SpaceGridInputSection::SpaceGridInputSection(), TestAssignAnyEnum::TestAssignAnyEnum(), and TestInputSection::TestInputSection().

integers

std::unordered_set<std::string> integers

protected

Definition at line 71 of file InputSection.h.

Referenced by CSLocalEnergyInput::CSLocalEnergyInputSection::CSLocalEnergyInputSection(), InputSection::isInteger(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), MomentumDistributionInput::MomentumDistributionInputSection::MomentumDistributionInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), RMCLocalEnergyInput::RMCLocalEnergyInputSection::RMCLocalEnergyInputSection(), TestInputSection::TestInputSection(), and WalkerLogInput::WalkerLogInput().

multi_reals

std::unordered_set<std::string> multi_reals

protected

Definition at line 69 of file InputSection.h.

Referenced by InputSection::isMultiReal(), and TestInputSection::TestInputSection().

multi_strings

std::unordered_set<std::string> multi_strings

protected

Definition at line 68 of file InputSection.h.

Referenced by InputSection::isMultiString(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), and TestInputSection::TestInputSection().

multiple

std::unordered_set<std::string> multiple

protected

Definition at line 66 of file InputSection.h.

Referenced by InputSection::isMultiple(), SpaceGridInput::SpaceGridInputSection::SpaceGridInputSection(), and TestInputSection::TestInputSection().

parameters

std::unordered_set<std::string> parameters

protected

Definition at line 63 of file InputSection.h.

Referenced by InputSection::isParameter(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), and TestInputSection::TestInputSection().

positions

std::unordered_set<std::string> positions

protected

Definition at line 73 of file InputSection.h.

Referenced by InputSection::isPosition(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), and TestInputSection::TestInputSection().

reals

std::unordered_set<std::string> reals

protected

Definition at line 72 of file InputSection.h.

Referenced by InputSection::isReal(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), MomentumDistributionInput::MomentumDistributionInputSection::MomentumDistributionInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), SpaceGridInput::SpaceGridAxisInput::SpaceGridAxisInputSection::SpaceGridAxisInputSection(), SpaceGridInput::SpaceGridOriginInput::SpaceGridOriginInputSection::SpaceGridOriginInputSection(), and TestInputSection::TestInputSection().

required

std::unordered_set<std::string> required

protected

Definition at line 65 of file InputSection.h.

Referenced by InputSection::checkValid(), InputSection::isRequired(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), ReferencePointsInput::ReferencePointsInputSection::ReferencePointsInputSection(), SpaceGridInput::SpaceGridAxisInput::SpaceGridAxisInputSection::SpaceGridAxisInputSection(), SpaceGridInput::SpaceGridOriginInput::SpaceGridOriginInputSection::SpaceGridOriginInputSection(), and TestInputSection::TestInputSection().

section_name

std::string section_name

protected

"Name" of the input section, you must define this in the subtype and the ename, name, type, or method must match.

Definition at line 57 of file InputSection.h.

Referenced by InputSection::assignValue(), InputSection::checkValid(), CSLocalEnergyInput::CSLocalEnergyInputSection::CSLocalEnergyInputSection(), LocalEnergyInput::LocalEnergyInputSection::LocalEnergyInputSection(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), MomentumDistributionInput::MomentumDistributionInputSection::MomentumDistributionInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), PerParticleHamiltonianLoggerInput::PerParticleHamiltonianLoggerInputSection::PerParticleHamiltonianLoggerInputSection(), InputSection::readAttributes(), InputSection::readXML(), ReferencePointsInput::ReferencePointsInputSection::ReferencePointsInputSection(), InputSection::report(), RMCLocalEnergyInput::RMCLocalEnergyInputSection::RMCLocalEnergyInputSection(), SelfHealingOverlapInput::SelfHealingOverlapInputSection::SelfHealingOverlapInputSection(), InputSection::setFromStream(), InputSection::setFromValue(), SpaceGridInput::SpaceGridAxisInput::SpaceGridAxisInputSection::SpaceGridAxisInputSection(), SpaceGridInput::SpaceGridInputSection::SpaceGridInputSection(), SpaceGridInput::SpaceGridOriginInput::SpaceGridOriginInputSection::SpaceGridOriginInputSection(), TestAssignAnyEnum::TestAssignAnyEnum(), TestInputSection::TestInputSection(), and WalkerLogInput::WalkerLogInput().

section_name_alternates

std::vector<std::string> section_name_alternates

protected

For historical reasons some sections must recognize several different names. Assign them to this variable in your subtype.

Definition at line 60 of file InputSection.h.

Referenced by LocalEnergyInput::LocalEnergyInputSection::LocalEnergyInputSection(), InputSection::readXML(), and RMCLocalEnergyInput::RMCLocalEnergyInputSection::RMCLocalEnergyInputSection().

strings

std::unordered_set<std::string> strings

protected

Definition at line 67 of file InputSection.h.

Referenced by CSLocalEnergyInput::CSLocalEnergyInputSection::CSLocalEnergyInputSection(), InputSection::isString(), LocalEnergyInput::LocalEnergyInputSection::LocalEnergyInputSection(), MagnetizationDensityInput::MagnetizationDensityInputSection::MagnetizationDensityInputSection(), MomentumDistributionInput::MomentumDistributionInputSection::MomentumDistributionInputSection(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::OneBodyDensityMatricesInputSection(), PerParticleHamiltonianLoggerInput::PerParticleHamiltonianLoggerInputSection::PerParticleHamiltonianLoggerInputSection(), RMCLocalEnergyInput::RMCLocalEnergyInputSection::RMCLocalEnergyInputSection(), SelfHealingOverlapInput::SelfHealingOverlapInputSection::SelfHealingOverlapInputSection(), SpaceGridInput::SpaceGridAxisInput::SpaceGridAxisInputSection::SpaceGridAxisInputSection(), SpaceGridInput::SpaceGridOriginInput::SpaceGridOriginInputSection::SpaceGridOriginInputSection(), and TestInputSection::TestInputSection().

values_

std::unordered_map<std::string, std::any> values_

protected

Definition at line 83 of file InputSection.h.

Referenced by InputSection::assignValue(), InputSection::get(), InputSection::has(), and InputSection::report().

---

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

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