core::chemical::AtomTypeDatabaseIO Class Reference

#include <AtomTypeDatabaseIO.hh>

Public Member Functions
	AtomTypeDatabaseIO ()
virtual	~AtomTypeDatabaseIO ()
void	write_schema_to_db (utility::sql_database::sessionOP db_session) const
	generate the table schemas and write them to the database More...
void	initialize (utility::sql_database::sessionOP db_session) const
	write the schema More...
void	write_atom_type_set_to_database (chemical::AtomTypeSet const &atom_type_set, utility::sql_database::sessionOP db_session) const
utility::vector1< std::string >	get_all_atom_types_in_database (utility::sql_database::sessionOP db_session) const

Private Member Functions
void	write_atom_types_table_schema (utility::sql_database::sessionOP db_session) const
void	write_atom_type_property_values_table_schema (utility::sql_database::sessionOP db_session) const
void	write_atom_type_properties_table_schema (utility::sql_database::sessionOP db_session) const
void	write_atom_type_extra_parameters_table_schema (utility::sql_database::sessionOP db_session) const
void	write_atom_type_table (std::string const &atom_type_set_name, AtomType const &atom_type, utility::sql_database::sessionOP db_session) const
void	write_atom_type_properties_table (std::string const &atom_type_set_name, AtomType const &atom_type, utility::sql_database::sessionOP db_session) const
void	write_atom_type_extra_parameters_table (AtomTypeSet const &atom_type_set, AtomType const &atom_type, utility::sql_database::sessionOP db_session) const

Constructor & Destructor Documentation

core::chemical::AtomTypeDatabaseIO::AtomTypeDatabaseIO

(

)

core::chemical::AtomTypeDatabaseIO::~AtomTypeDatabaseIO ( )

virtual

Member Function Documentation

vector1< string > core::chemical::AtomTypeDatabaseIO::get_all_atom_types_in_database

(

utility::sql_database::sessionOP

db_session

)

const

References atom_names, safely_prepare_statement(), and safely_read_from_database().

void core::chemical::AtomTypeDatabaseIO::initialize

(

utility::sql_database::sessionOP

db_session

)

const

write the schema

References write_schema_to_db().

void core::chemical::AtomTypeDatabaseIO::write_atom_type_extra_parameters_table ( AtomTypeSet const &  atom_type_set, AtomType const &  atom_type, utility::sql_database::sessionOP  db_session  ) const

private

References core::chemical::AtomType::extra_parameter(), core::chemical::AtomTypeSet::extra_parameter_indices(), core::chemical::AtomTypeSet::name(), core::chemical::AtomType::name(), safely_prepare_statement(), and safely_write_to_database().

Referenced by write_atom_type_set_to_database().

void core::chemical::AtomTypeDatabaseIO::write_atom_type_extra_parameters_table_schema ( utility::sql_database::sessionOP  db_session ) const

private

References basic::database::schema_generator::Schema::add_column(), basic::database::schema_generator::Schema::add_foreign_key(), table, and basic::database::schema_generator::Schema::write().

Referenced by write_schema_to_db().

void core::chemical::AtomTypeDatabaseIO::write_atom_type_properties_table ( std::string const &  atom_type_set_name, AtomType const &  atom_type, utility::sql_database::sessionOP  db_session  ) const

private

References core::chemical::AtomType::get_all_properties(), core::chemical::AtomType::name(), safely_prepare_statement(), and safely_write_to_database().

Referenced by write_atom_type_set_to_database().

void core::chemical::AtomTypeDatabaseIO::write_atom_type_properties_table_schema ( utility::sql_database::sessionOP  db_session ) const

private

References basic::database::schema_generator::Schema::add_foreign_key(), table, and basic::database::schema_generator::Schema::write().

Referenced by write_schema_to_db().

void core::chemical::AtomTypeDatabaseIO::write_atom_type_property_values_table_schema ( utility::sql_database::sessionOP  db_session ) const

private

References insert_or_ignore(), table, and basic::database::schema_generator::Schema::write().

Referenced by write_schema_to_db().

void core::chemical::AtomTypeDatabaseIO::write_atom_type_set_to_database	(	chemical::AtomTypeSet const &	atom_type_set,
		utility::sql_database::sessionOP	db_session
	)		const

References core::chemical::AtomTypeSet::n_atomtypes(), core::chemical::AtomTypeSet::name(), safely_prepare_statement(), safely_read_from_database(), write_atom_type_extra_parameters_table(), write_atom_type_properties_table(), and write_atom_type_table().

void core::chemical::AtomTypeDatabaseIO::write_atom_type_table ( std::string const &  atom_type_set_name, AtomType const &  atom_type, utility::sql_database::sessionOP  db_session  ) const

private

References core::chemical::AtomType::element(), core::chemical::AtomType::lj_radius(), core::chemical::AtomType::lj_wdepth(), core::chemical::AtomType::lk_dgfree(), core::chemical::AtomType::lk_lambda(), core::chemical::AtomType::lk_volume(), core::chemical::AtomType::name(), safely_prepare_statement(), and safely_write_to_database().

Referenced by write_atom_type_set_to_database().

void core::chemical::AtomTypeDatabaseIO::write_atom_types_table_schema ( utility::sql_database::sessionOP  db_session ) const

private

References basic::database::schema_generator::Schema::add_column(), table, and basic::database::schema_generator::Schema::write().

Referenced by write_schema_to_db().

void core::chemical::AtomTypeDatabaseIO::write_schema_to_db

(

utility::sql_database::sessionOP

db_session

)

const

generate the table schemas and write them to the database

References write_atom_type_extra_parameters_table_schema(), write_atom_type_properties_table_schema(), write_atom_type_property_values_table_schema(), and write_atom_types_table_schema().

Referenced by initialize().

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

• symlinks/rosetta/src/core/chemical/AtomTypeDatabaseIO.hh
• symlinks/rosetta/src/core/chemical/AtomTypeDatabaseIO.cc