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Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Model of ParticleAnnotator for attributing a radius to an atom. More...
#include <Radius_annotator_for_particles_with_annotated_name.hpp>
Public Member Functions | |
boost::program_options::options_description | add_options (void) override |
Virtual method for adding options to the module. More... | |
bool | check_options (std::string &message) const override |
Checks that the input options' values are coherent. More... | |
std::string | get_output_prefix (void) const override |
Returns a prefix that concatains the input line options used when running the module. More... | |
bool | load (unsigned verbose, std::ostream &out) override |
Load function. More... | |
std::string | get_name (void) const override |
Return the name of the class itself. More... | |
Static Public Member Functions | |
static boost::program_options::options_description *& | get_options (void) |
Access to the options' description of the module. More... | |
Management | |
void | set_loader_instance_name (const std::string &loader_instance_name) |
const std::string & | get_loader_instance_name (void) const |
Model of ParticleAnnotator for attributing a radius to an atom.
Annotations' file loaded by this annotator has no header information. The key is an annotated atom name (not the one from PDB, if any). By default, the radii for atoms are the van der Walls radii, while the radii for pseudo-atoms representing residues are approximations of radii of residues without their side-chain. The following radii are provided for atoms:
and for pseudo-atoms:
NT | Number type used for representing the radius. |
SetRadius | Functor setting the radius of an input particle |
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inlineoverridevirtual |
Virtual method for adding options to the module.
Reimplemented from T_Module_option_description< Dummy >.
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inlineoverridevirtual |
Checks that the input options' values are coherent.
Reimplemented from T_Module_option_description< Dummy >.
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inlineoverridevirtual |
Return the name of the class itself.
Reimplemented from Loader_base.
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inlinestaticinherited |
Access to the options' description of the module.
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inlineoverridevirtual |
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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inlineoverridevirtual |
Load function.
verbose | Verbosity level. | |
[out] | out | Output stream. |
Reimplemented from Loader_base.