T_Molecular_covalent_structure_loader_from_MOL< MolecularCovalentStructure > Class Template Reference

Loader for covalent structures from MOL files. More...

#include <Molecular_covalent_structure_loader_from_MOL.hpp>

Static Public Member Functions
static boost::program_options::options_description *&	get_options (void)
	Access to the options' description of the module. More...

Parameters
boost::program_options::options_description	add_options (void) override
	Virtual method for adding options to the module. More...
const std::string &	get_input_file_name (void) const
	Return the name of the input file when only one is given. More...
const std::string &	get_input_file_name (unsigned i) const
	Return the name of the ith input file. More...
static void	add_input_file_name (const std::string &file_name)
	Add manually the name of an input MOL file. More...

Access
unsigned	get_number_of_loaded_covalent_structures (void) const
	Number of loaded covalent structures. More...
const MolecularCovalentStructure &	get_covalent_structure (unsigned i) const
	ith covalent structure (const). More...
MolecularCovalentStructure &	get_covalent_structure (unsigned i)
	ith covalent structure. More...
const std::vector< Molecular_covalent_structure > &	get_molecular_covalent_structures (void) const
	Retrieves the molecular covalent structures loaded from MOL file(s). More...
std::vector< Molecular_covalent_structure > &	get_molecular_covalent_structures (void)
	Retrieves the molecular covalent structures loaded from MOL file(s). More...

Requirements
bool	load (unsigned verbose=false, std::ostream &out=std::cout) override
	Load function. More...
std::string	get_output_prefix (void) const override
	Returns a prefix that concatains the input line options used when running the module. More...
std::string	get_name (void) const override
	Return the name of the class itself. More...
bool	check_options (std::string &message) const override
	Checks that the input options' values are coherent. More...

Management
void	set_loader_instance_name (const std::string &loader_instance_name)
const std::string &	get_loader_instance_name (void) const

Detailed Description

template<class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<>>
class SBL::IO::T_Molecular_covalent_structure_loader_from_MOL< MolecularCovalentStructure >

Loader for covalent structures from MOL files.

Loader for covalent structures from MOL files.

Template Parameters

MolecularCovalentStructure	Graph representation of a covalent structure.
MolecularCovalentStructureBuilder	Builder of the covalent structure.

Member Function Documentation

add_input_file_name()

void add_input_file_name ( const std::string &  file_name )

inlinestatic

Add manually the name of an input MOL file.

add_options()

boost::program_options::options_description add_options ( void  )

inlineoverridevirtual

Virtual method for adding options to the module.

Reimplemented from T_Module_option_description< Dummy >.

check_options()

bool check_options ( std::string &  message ) const

inlineoverridevirtual

Checks that the input options' values are coherent.

Reimplemented from T_Module_option_description< Dummy >.

get_covalent_structure() [1/2]

MolecularCovalentStructure & get_covalent_structure ( unsigned  i )

inline

ith covalent structure.

get_covalent_structure() [2/2]

const MolecularCovalentStructure & get_covalent_structure ( unsigned  i ) const

inline

ith covalent structure (const).

get_input_file_name() [1/2]

const std::string& get_input_file_name ( unsigned  i ) const

inline

Return the name of the ith input file.

get_input_file_name() [2/2]

const std::string& get_input_file_name ( void  ) const

inline

Return the name of the input file when only one is given.

get_molecular_covalent_structures() [1/2]

std::vector< MolecularCovalentStructure > & get_molecular_covalent_structures

(

void

)

Retrieves the molecular covalent structures loaded from MOL file(s).

This function returns a reference to the vector containing the molecular covalent structures loaded from the MOL file(s).

Returns

A reference to the vector of molecular covalent structures

get_molecular_covalent_structures() [2/2]

const std::vector< MolecularCovalentStructure > & get_molecular_covalent_structures

(

void

)

const

Retrieves the molecular covalent structures loaded from MOL file(s).

This function returns a constant reference to the vector containing the molecular covalent structures loaded from the MOL file(s).

Returns

A constant reference to the vector of molecular covalent structures

get_name()

std::string get_name ( void  ) const

inlineoverridevirtual

Return the name of the class itself.

Reimplemented from Loader_base.

get_number_of_loaded_covalent_structures()

unsigned get_number_of_loaded_covalent_structures ( void  ) const

inline

Number of loaded covalent structures.

get_options()

static boost::program_options::options_description*& get_options ( void  )

inlinestaticinherited

Access to the options' description of the module.

get_output_prefix()

std::string get_output_prefix ( void  ) const

inlineoverridevirtual

Returns a prefix that concatains the input line options used when running the module.

Reimplemented from T_Module_option_description< Dummy >.

load()

bool load ( unsigned  verbose = false, std::ostream &  out = std::cout  )

inlineoverridevirtual

Load function.

Parameters

	verbose	Verbosity level.
[out]	out	Output stream.

Returns

True if loading is successful, false otherwise. Function to call to execute the main function of a Loader

Reimplemented from Loader_base.