Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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
MolecularCovalentStructureGraph representation of a covalent structure.
MolecularCovalentStructureBuilderBuilder 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
verboseVerbosity level.
[out]outOutput stream.
Returns
True if loading is successful, false otherwise. Function to call to execute the main function of a Loader

Reimplemented from Loader_base.