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Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Loader for covalent structures from MOL files. More...
#include <Molecular_covalent_structure_loader_from_MOL.hpp>
Public Types | |
typedef T_Molecular_covalent_structure_loader_from_MOL< MolecularCovalentStructure > | Self |
typedef SBL::IO::Loader_base | Base |
Static Public Member Functions | |
static boost::program_options::options_description *& | get_options (void) |
Access to the options' description of the module. More... | |
static bool | has_options (void) |
static void | delete_options (void) |
static void | initialize_options (const std::string &caption) |
Parameters | |
boost::program_options::options_description | add_options (void) const |
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... | |
Requirements | |
bool | load (unsigned verbose=false, std::ostream &out=std::cout) |
Loads the data. More... | |
std::string | get_output_prefix (void) const |
Returns a prefix that concatains the input line options used when running the module. More... | |
std::string | get_name (void) const |
Return the name of the class itself. More... | |
bool | check_options (std::string &message) const |
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 |
Loader for covalent structures from MOL files.
Loader for covalent structures from MOL files.
MolecularCovalentStructure | Graph representation of a covalent structure. |
MolecularCovalentStructureBuilder | Builder of the covalent structure. |
typedef SBL::IO::Loader_base Base |
typedef T_Molecular_covalent_structure_loader_from_MOL<MolecularCovalentStructure> Self |
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inlinestatic |
Add manually the name of an input MOL file.
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inlinevirtual |
Virtual method for adding options to the module.
Reimplemented from T_Module_option_description< Dummy >.
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inlinevirtual |
Checks that the input options' values are coherent.
Reimplemented from T_Module_option_description< Dummy >.
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inlinestaticinherited |
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inline |
ith covalent structure.
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inline |
ith covalent structure (const).
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inline |
Return the name of the ith input file.
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inline |
Return the name of the input file when only one is given.
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inlineinherited |
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inlinevirtual |
Return the name of the class itself.
Reimplemented from Loader_base.
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inline |
Number of loaded covalent structures.
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inlinestaticinherited |
Access to the options' description of the module.
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inlinevirtual |
Returns a prefix that concatains the input line options used when running the module.
Reimplemented from T_Module_option_description< Dummy >.
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inlinestaticinherited |
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inlinestaticinherited |
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inlinevirtual |
Loads the data.
Reimplemented from Loader_base.
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inlineinherited |