Skip to content

Factor common logic out of add_*_parameter methods #676

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
everyday847 wants to merge 1 commit into
base: main
Choose a base branch
from
+40 −54
Open

Factor common logic out of add_*_parameter methods #676

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
89 changes: 35 additions & 54 deletions source/src/core/conformation/parametric/ParametrizationCalculator.cc
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -55,7 +55,7 @@ static basic::Tracer TR( "core.conformation.parametric.ParametrizationCalculator
/// @brief Constructor.
///
ParametrizationCalculator::ParametrizationCalculator() :
parameters_( new Parameters )
parameters_( utility::pointer::make_shared< Parameters >() )
//TODO -- initialize variables here.
{
}
Expand Down Expand Up @@ -217,16 +217,9 @@ ParametrizationCalculator::add_real_parameter(
std::string const &units,
ParameterizationCalculatorProperties const &properties
) {
RealValuedParameterOP param( new RealValuedParameter );
param->set_parameter_name(parameter_name);
param->set_parameter_description(description);
param->set_short_parameter_description(short_description);
param->set_parameter_units(units);
RealValuedParameterOP param( utility::pointer::make_shared< RealValuedParameter >() );
if ( type == PT_generic_positive_valued_real ) param->set_value(1.0);
param->set_parameter_type(type); //Checks compatible type.
param->set_can_be_set_sampled_perturbed_copied( properties.can_be_set, properties.can_be_copied, properties.can_be_sampled, properties.can_be_perturbed );
param->set_global_for_parameters_set( properties.global_for_parameters_set );
add_parameter( param );
configure_and_add_parameter( param, parameter_name, type, description, short_description, units, properties );
}

/// @brief Add a vector-valued parameter to this calculator.
Expand All @@ -239,16 +232,9 @@ ParametrizationCalculator::add_realvector_parameter(
std::string const &units,
ParameterizationCalculatorProperties const &properties
) {
RealVectorValuedParameterOP param( new RealVectorValuedParameter );
param->set_parameter_name(parameter_name);
param->set_parameter_description(description);
param->set_short_parameter_description(short_description);
param->set_parameter_units(units);
RealVectorValuedParameterOP param( utility::pointer::make_shared< RealVectorValuedParameter >() );
if ( type == PT_generic_positive_valued_real ) param->set_value(utility::vector1<core::Real>(1, 1.0));
param->set_parameter_type(type); //Checks compatible type.
param->set_can_be_set_sampled_perturbed_copied( properties.can_be_set, properties.can_be_copied, properties.can_be_sampled, properties.can_be_perturbed );
param->set_global_for_parameters_set( properties.global_for_parameters_set );
add_parameter( param );
configure_and_add_parameter( param, parameter_name, type, description, short_description, units, properties );
}

/// @brief Add a core::Size-valued parameter to this calculator.
Expand All @@ -262,16 +248,9 @@ ParametrizationCalculator::add_size_parameter(
std::string const &units,
ParameterizationCalculatorProperties const &properties
) {
SizeValuedParameterOP param( new SizeValuedParameter );
param->set_parameter_name(parameter_name);
param->set_parameter_description(description);
param->set_short_parameter_description(short_description);
param->set_parameter_units(units);
SizeValuedParameterOP param( utility::pointer::make_shared< SizeValuedParameter >() );
if ( type == PT_generic_natural_number ) param->set_value(1);
param->set_parameter_type(type); //Checks compatible type.
param->set_can_be_set_sampled_perturbed_copied( properties.can_be_set, properties.can_be_copied, properties.can_be_sampled, properties.can_be_perturbed );
param->set_global_for_parameters_set( properties.global_for_parameters_set );
add_parameter( param );
configure_and_add_parameter( param, parameter_name, type, description, short_description, units, properties );
}

/// @brief Add a integer vector-valued parameter to this calculator.
Expand All @@ -285,16 +264,9 @@ ParametrizationCalculator::add_sizevector_parameter(
std::string const &units,
ParameterizationCalculatorProperties const &properties
) {
SizeVectorValuedParameterOP param( new SizeVectorValuedParameter );
param->set_parameter_name(parameter_name);
param->set_parameter_description(description);
param->set_short_parameter_description(short_description);
param->set_parameter_units(units);
SizeVectorValuedParameterOP param( utility::pointer::make_shared< SizeVectorValuedParameter >() );
if ( type == PT_generic_natural_number_vector ) param->set_value(utility::vector1< core::Size >(1,1) );
param->set_parameter_type(type); //Checks compatible type.
param->set_can_be_set_sampled_perturbed_copied( properties.can_be_set, properties.can_be_copied, properties.can_be_sampled, properties.can_be_perturbed );
param->set_global_for_parameters_set( properties.global_for_parameters_set );
add_parameter( param );
configure_and_add_parameter( param, parameter_name, type, description, short_description, units, properties );
}

/// @brief Add a Boolean-valued parameter to this calculator.
Expand All @@ -308,15 +280,8 @@ ParametrizationCalculator::add_boolean_parameter(
std::string const &units,
ParameterizationCalculatorProperties const &properties
) {
BooleanValuedParameterOP param( new BooleanValuedParameter );
param->set_parameter_name(parameter_name);
param->set_parameter_description(description);
param->set_short_parameter_description(short_description);
param->set_parameter_units(units);
param->set_parameter_type(type); //Checks compatible type.
param->set_can_be_set_sampled_perturbed_copied( properties.can_be_set, properties.can_be_copied, properties.can_be_sampled, properties.can_be_perturbed );
param->set_global_for_parameters_set( properties.global_for_parameters_set );
add_parameter( param );
BooleanValuedParameterOP param( utility::pointer::make_shared< BooleanValuedParameter >() );
configure_and_add_parameter( param, parameter_name, type, description, short_description, units, properties );
}

/// @brief Add a custom parameter
Expand All @@ -330,18 +295,34 @@ ParametrizationCalculator::add_custom_parameter(
ParameterizationCalculatorProperties const &properties,
ParameterOP parameter_in
) {
parameter_in->set_parameter_name(parameter_name);
parameter_in->set_parameter_description(description);
parameter_in->set_short_parameter_description(short_description);
parameter_in->set_parameter_units(units);
parameter_in->set_parameter_type(type); //Checks compatible type.
parameter_in->set_can_be_set_sampled_perturbed_copied( properties.can_be_set, properties.can_be_copied, properties.can_be_sampled, properties.can_be_perturbed );
parameter_in->set_global_for_parameters_set( properties.global_for_parameters_set );
add_parameter( parameter_in );
configure_and_add_parameter( parameter_in, parameter_name, type, description, short_description, units, properties );
}

////////////////////// PRIVATE FUNCTIONS ///////////////////////////

/// @brief Configure common properties on a parameter and add it to this calculator.
/// @details Sets the name, description, short description, units, type, capabilities, and global flag,
/// then adds the parameter. Used by add_*_parameter() and add_custom_parameter() to avoid duplication.
void
ParametrizationCalculator::configure_and_add_parameter(
ParameterOP param,
std::string const &parameter_name,
ParameterType type,
std::string const &description,
std::string const &short_description,
std::string const &units,
ParameterizationCalculatorProperties const &properties
) {
param->set_parameter_name(parameter_name);
param->set_parameter_description(description);
param->set_short_parameter_description(short_description);
param->set_parameter_units(units);
param->set_parameter_type(type); //Checks compatible type.
param->set_can_be_set_sampled_perturbed_copied( properties.can_be_set, properties.can_be_copied, properties.can_be_sampled, properties.can_be_perturbed );
param->set_global_for_parameters_set( properties.global_for_parameters_set );
add_parameter( param );
}

/// @brief Add a parameter to this calculator.
///
void
Expand Down
5 changes: 5 additions & 0 deletions source/src/core/conformation/parametric/ParametrizationCalculator.hh
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -195,6 +195,11 @@ protected: //Functions

private: //Functions

/// @brief Configure common properties on a parameter and add it to this calculator.
/// @details Sets the name, description, short description, units, type, capabilities, and global flag,
/// then adds the parameter. Used by add_*_parameter() and add_custom_parameter() to avoid duplication.
void configure_and_add_parameter( ParameterOP param, std::string const &parameter_name, ParameterType type, std::string const &description, std::string const &short_description, std::string const &units, ParameterizationCalculatorProperties const &properties );

/// @brief Add a parameter to this calculator.
///
void add_parameter( ParameterOP parameter_in );
Expand Down