Bindings for protocols::ligand_docking::rdf namespace

Classes
		builtins.object AtomPairData RDFBase RDFBinaryHbondFunction RDFBinaryOrbitalFunction RDFChargeFunction RDFElecFunction RDFEtableFunction RDFHbondFunction RDFOrbitalFunction RDFFunctionCreator RDFBinaryHbondCreator RDFBinaryOrbitalFunctionCreator RDFChargeCreator RDFElecCreator RDFEtableCreator RDFHbondCreator RDFOrbitalFunctionCreator RDFFunctionFactory   class AtomPairData(builtins.object)     a simple struct for storing information needed to compute an RDF interaction     Methods defined here: __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(self : rosetta.protocols.ligand_docking.rdf.AtomPairData, protein_atom : rosetta.core.chemical.AtomType, ligand_atom : rosetta.core.chemical.AtomType) -> NoneType   2. __init__(self : rosetta.protocols.ligand_docking.rdf.AtomPairData,  : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.AtomPairData,  : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> rosetta.protocols.ligand_docking.rdf.AtomPairData Data descriptors defined here: atom_atom_distance ligand_atom ligand_atom_charge ligand_atom_coords ligand_atom_id ligand_atom_type protein_atom protein_atom_charge protein_atom_coords protein_atom_id protein_atom_type   class RDFBase(builtins.object)       Methods defined here: __call__(...) from builtins.PyCapsule __call__(self : rosetta.protocols.ligand_docking.rdf.RDFBase,  : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> rosetta.utility.vector1_std_pair_std_string_double_t   given an AtomPairData object, return a map __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(self : rosetta.protocols.ligand_docking.rdf.RDFBase, name : str) -> NoneType   2. __init__(rosetta.protocols.ligand_docking.rdf.RDFBase, rosetta.protocols.ligand_docking.rdf.RDFBase) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. add_function_name(...) from builtins.PyCapsule add_function_name(self : rosetta.protocols.ligand_docking.rdf.RDFBase, name : str) -> NoneType   add a function name to the list assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFBase,  : rosetta.protocols.ligand_docking.rdf.RDFBase) -> rosetta.protocols.ligand_docking.rdf.RDFBase get_function_names(...) from builtins.PyCapsule get_function_names(rosetta.protocols.ligand_docking.rdf.RDFBase) -> rosetta.utility.vector1_std_string   get a list of all the function names which will be present in RDFResultList after operator() is called parse_my_tag(...) from builtins.PyCapsule parse_my_tag(self : rosetta.protocols.ligand_docking.rdf.RDFBase,  : rosetta.utility.tag.Tag,  : rosetta.basic.datacache.DataMap) -> NoneType   parse tags preamble(...) from builtins.PyCapsule preamble(self : rosetta.protocols.ligand_docking.rdf.RDFBase,  : rosetta.core.pose.Pose) -> NoneType   If you have code that needs to be run once per pose (for data caching, etc), put it here. Data and other attributes defined here: FunctionSign = <class 'rosetta.protocols.ligand_docking.rdf.RDFBase.FunctionSign'> an enum of the possible states that a signed RDF can have LigandMinusProteinPlus = FunctionSign.LigandMinusProteinPlus LigandPlusProteinMinus = FunctionSign.LigandPlusProteinMinus SameSign = FunctionSign.SameSign   class RDFBinaryHbondCreator(RDFFunctionCreator)     Creator to geneate a new RDFBinaryHbondFunction     Method resolution order: RDFBinaryHbondCreator RDFFunctionCreator builtins.object Methods defined here: __init__(...) from builtins.PyCapsule __init__(handle) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondCreator,  : rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondCreator create_rdf_function(...) from builtins.PyCapsule create_rdf_function(rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBase   return a pointer to a newly created RDFBinaryHbondFunction type_name(...) from builtins.PyCapsule type_name(rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondCreator) -> str   return the name of the RDFBinaryHbondFunction   class RDFBinaryHbondFunction(RDFBase)     RDFBinaryHbondFunction returns 1.0 if a pair of atoms are donor and acceptor, 0.0 otherwise.     Method resolution order: RDFBinaryHbondFunction RDFBase builtins.object Methods defined here: __call__(...) from builtins.PyCapsule __call__(self : rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondFunction, atom_data : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> rosetta.utility.vector1_std_pair_std_string_double_t   compute binary hbond status for atom pair __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(handle) -> NoneType   2. __init__(handle, rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondFunction) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondFunction,  : rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondFunction) -> rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondFunction parse_my_tag(...) from builtins.PyCapsule parse_my_tag(self : rosetta.protocols.ligand_docking.rdf.RDFBinaryHbondFunction, tag : rosetta.utility.tag.Tag, data_map : rosetta.basic.datacache.DataMap) -> NoneType   parse tags for RDFBinaryHbondFunction tag Methods inherited from RDFBase: add_function_name(...) from builtins.PyCapsule add_function_name(self : rosetta.protocols.ligand_docking.rdf.RDFBase, name : str) -> NoneType   add a function name to the list get_function_names(...) from builtins.PyCapsule get_function_names(rosetta.protocols.ligand_docking.rdf.RDFBase) -> rosetta.utility.vector1_std_string   get a list of all the function names which will be present in RDFResultList after operator() is called preamble(...) from builtins.PyCapsule preamble(self : rosetta.protocols.ligand_docking.rdf.RDFBase,  : rosetta.core.pose.Pose) -> NoneType   If you have code that needs to be run once per pose (for data caching, etc), put it here. Data and other attributes inherited from RDFBase: FunctionSign = <class 'rosetta.protocols.ligand_docking.rdf.RDFBase.FunctionSign'> an enum of the possible states that a signed RDF can have LigandMinusProteinPlus = FunctionSign.LigandMinusProteinPlus LigandPlusProteinMinus = FunctionSign.LigandPlusProteinMinus SameSign = FunctionSign.SameSign   class RDFBinaryOrbitalFunction(RDFBase)     RDFBinaryOrbitalFunction returns 1 for various orbital pairs and 0 otherwise     Method resolution order: RDFBinaryOrbitalFunction RDFBase builtins.object Methods defined here: __call__(...) from builtins.PyCapsule __call__(self : rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunction, atom_data : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> rosetta.utility.vector1_std_pair_std_string_double_t   compute binary hbond status for atom pair __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(handle) -> NoneType   2. __init__(handle, rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunction) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunction,  : rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunction) -> rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunction parse_my_tag(...) from builtins.PyCapsule parse_my_tag(self : rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunction, tag : rosetta.utility.tag.Tag, data_map : rosetta.basic.datacache.DataMap) -> NoneType   parse tags for RDFOrbitalFunction tag preamble(...) from builtins.PyCapsule preamble(self : rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunction, pose : rosetta.core.pose.Pose) -> NoneType   update residue neighbors and cache current pose Methods inherited from RDFBase: add_function_name(...) from builtins.PyCapsule add_function_name(self : rosetta.protocols.ligand_docking.rdf.RDFBase, name : str) -> NoneType   add a function name to the list get_function_names(...) from builtins.PyCapsule get_function_names(rosetta.protocols.ligand_docking.rdf.RDFBase) -> rosetta.utility.vector1_std_string   get a list of all the function names which will be present in RDFResultList after operator() is called Data and other attributes inherited from RDFBase: FunctionSign = <class 'rosetta.protocols.ligand_docking.rdf.RDFBase.FunctionSign'> an enum of the possible states that a signed RDF can have LigandMinusProteinPlus = FunctionSign.LigandMinusProteinPlus LigandPlusProteinMinus = FunctionSign.LigandPlusProteinMinus SameSign = FunctionSign.SameSign   class RDFBinaryOrbitalFunctionCreator(RDFFunctionCreator)     Creator to geneate a new RDFBinaryOrbitalFunction     Method resolution order: RDFBinaryOrbitalFunctionCreator RDFFunctionCreator builtins.object Methods defined here: __init__(...) from builtins.PyCapsule __init__(handle) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunctionCreator,  : rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunctionCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunctionCreator create_rdf_function(...) from builtins.PyCapsule create_rdf_function(rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunctionCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBase   return a pointer to a newly created RDFBinaryOrbitalFunction type_name(...) from builtins.PyCapsule type_name(rosetta.protocols.ligand_docking.rdf.RDFBinaryOrbitalFunctionCreator) -> str   return the name of the RDFBinaryOrbitalFunction   class RDFChargeCreator(RDFFunctionCreator)     Creator to geneate a new RDFChargeFunction     Method resolution order: RDFChargeCreator RDFFunctionCreator builtins.object Methods defined here: __init__(...) from builtins.PyCapsule __init__(handle) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFChargeCreator,  : rosetta.protocols.ligand_docking.rdf.RDFChargeCreator) -> rosetta.protocols.ligand_docking.rdf.RDFChargeCreator create_rdf_function(...) from builtins.PyCapsule create_rdf_function(rosetta.protocols.ligand_docking.rdf.RDFChargeCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBase   return a pointer to a newly created RDFElecFunction type_name(...) from builtins.PyCapsule type_name(rosetta.protocols.ligand_docking.rdf.RDFChargeCreator) -> str   return the name of the RDFEtableFunction   class RDFChargeFunction(RDFBase)     RDFChargeFunction computes fa_elec for a pair of atoms     Method resolution order: RDFChargeFunction RDFBase builtins.object Methods defined here: __call__(...) from builtins.PyCapsule __call__(self : rosetta.protocols.ligand_docking.rdf.RDFChargeFunction, atom_data : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> rosetta.utility.vector1_std_pair_std_string_double_t   compute fa_elec for atom pair __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(handle) -> NoneType   2. __init__(handle, rosetta.protocols.ligand_docking.rdf.RDFChargeFunction) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFChargeFunction,  : rosetta.protocols.ligand_docking.rdf.RDFChargeFunction) -> rosetta.protocols.ligand_docking.rdf.RDFChargeFunction parse_my_tag(...) from builtins.PyCapsule parse_my_tag(self : rosetta.protocols.ligand_docking.rdf.RDFChargeFunction, tag : rosetta.utility.tag.Tag,  : rosetta.basic.datacache.DataMap) -> NoneType   parse tags for RDFElecFunction tag Methods inherited from RDFBase: add_function_name(...) from builtins.PyCapsule add_function_name(self : rosetta.protocols.ligand_docking.rdf.RDFBase, name : str) -> NoneType   add a function name to the list get_function_names(...) from builtins.PyCapsule get_function_names(rosetta.protocols.ligand_docking.rdf.RDFBase) -> rosetta.utility.vector1_std_string   get a list of all the function names which will be present in RDFResultList after operator() is called preamble(...) from builtins.PyCapsule preamble(self : rosetta.protocols.ligand_docking.rdf.RDFBase,  : rosetta.core.pose.Pose) -> NoneType   If you have code that needs to be run once per pose (for data caching, etc), put it here. Data and other attributes inherited from RDFBase: FunctionSign = <class 'rosetta.protocols.ligand_docking.rdf.RDFBase.FunctionSign'> an enum of the possible states that a signed RDF can have LigandMinusProteinPlus = FunctionSign.LigandMinusProteinPlus LigandPlusProteinMinus = FunctionSign.LigandPlusProteinMinus SameSign = FunctionSign.SameSign   class RDFElecCreator(RDFFunctionCreator)     Creator to geneate a new RDFElecFunction     Method resolution order: RDFElecCreator RDFFunctionCreator builtins.object Methods defined here: __init__(...) from builtins.PyCapsule __init__(handle) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFElecCreator,  : rosetta.protocols.ligand_docking.rdf.RDFElecCreator) -> rosetta.protocols.ligand_docking.rdf.RDFElecCreator create_rdf_function(...) from builtins.PyCapsule create_rdf_function(rosetta.protocols.ligand_docking.rdf.RDFElecCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBase   return a pointer to a newly created RDFElecFunction type_name(...) from builtins.PyCapsule type_name(rosetta.protocols.ligand_docking.rdf.RDFElecCreator) -> str   return the name of the RDFEtableFunction   class RDFElecFunction(RDFBase)     RDFElecFunction computes fa_elec for a pair of atoms     Method resolution order: RDFElecFunction RDFBase builtins.object Methods defined here: __call__(...) from builtins.PyCapsule __call__(self : rosetta.protocols.ligand_docking.rdf.RDFElecFunction, atom_data : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> rosetta.utility.vector1_std_pair_std_string_double_t   compute fa_elec for atom pair __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(handle) -> NoneType   2. __init__(handle, rosetta.protocols.ligand_docking.rdf.RDFElecFunction) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFElecFunction,  : rosetta.protocols.ligand_docking.rdf.RDFElecFunction) -> rosetta.protocols.ligand_docking.rdf.RDFElecFunction parse_my_tag(...) from builtins.PyCapsule parse_my_tag(self : rosetta.protocols.ligand_docking.rdf.RDFElecFunction, tag : rosetta.utility.tag.Tag, data_map : rosetta.basic.datacache.DataMap) -> NoneType   parse tags for RDFElecFunction tag Methods inherited from RDFBase: add_function_name(...) from builtins.PyCapsule add_function_name(self : rosetta.protocols.ligand_docking.rdf.RDFBase, name : str) -> NoneType   add a function name to the list get_function_names(...) from builtins.PyCapsule get_function_names(rosetta.protocols.ligand_docking.rdf.RDFBase) -> rosetta.utility.vector1_std_string   get a list of all the function names which will be present in RDFResultList after operator() is called preamble(...) from builtins.PyCapsule preamble(self : rosetta.protocols.ligand_docking.rdf.RDFBase,  : rosetta.core.pose.Pose) -> NoneType   If you have code that needs to be run once per pose (for data caching, etc), put it here. Data and other attributes inherited from RDFBase: FunctionSign = <class 'rosetta.protocols.ligand_docking.rdf.RDFBase.FunctionSign'> an enum of the possible states that a signed RDF can have LigandMinusProteinPlus = FunctionSign.LigandMinusProteinPlus LigandPlusProteinMinus = FunctionSign.LigandPlusProteinMinus SameSign = FunctionSign.SameSign   class RDFEtableCreator(RDFFunctionCreator)     Creator to geneate a new RDFEtableFunction     Method resolution order: RDFEtableCreator RDFFunctionCreator builtins.object Methods defined here: __init__(...) from builtins.PyCapsule __init__(handle) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFEtableCreator,  : rosetta.protocols.ligand_docking.rdf.RDFEtableCreator) -> rosetta.protocols.ligand_docking.rdf.RDFEtableCreator create_rdf_function(...) from builtins.PyCapsule create_rdf_function(rosetta.protocols.ligand_docking.rdf.RDFEtableCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBase   return a pointer to a newly created RDFEtableFunction type_name(...) from builtins.PyCapsule type_name(rosetta.protocols.ligand_docking.rdf.RDFEtableCreator) -> str   return the name of the RDFEtableFunction   class RDFEtableFunction(RDFBase)     RDFEtableFunction computes fa_sol,fa_rep,fa_atr for a pair of atoms     Method resolution order: RDFEtableFunction RDFBase builtins.object Methods defined here: __call__(...) from builtins.PyCapsule __call__(self : rosetta.protocols.ligand_docking.rdf.RDFEtableFunction, atom_data : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> rosetta.utility.vector1_std_pair_std_string_double_t   compute atr, rep and solvation energy for atom pair __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(handle) -> NoneType   2. __init__(handle, rosetta.protocols.ligand_docking.rdf.RDFEtableFunction) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFEtableFunction,  : rosetta.protocols.ligand_docking.rdf.RDFEtableFunction) -> rosetta.protocols.ligand_docking.rdf.RDFEtableFunction parse_my_tag(...) from builtins.PyCapsule parse_my_tag(self : rosetta.protocols.ligand_docking.rdf.RDFEtableFunction, tag : rosetta.utility.tag.Tag, data_map : rosetta.basic.datacache.DataMap) -> NoneType   parse tags for RDFEtableFunction tag Methods inherited from RDFBase: add_function_name(...) from builtins.PyCapsule add_function_name(self : rosetta.protocols.ligand_docking.rdf.RDFBase, name : str) -> NoneType   add a function name to the list get_function_names(...) from builtins.PyCapsule get_function_names(rosetta.protocols.ligand_docking.rdf.RDFBase) -> rosetta.utility.vector1_std_string   get a list of all the function names which will be present in RDFResultList after operator() is called preamble(...) from builtins.PyCapsule preamble(self : rosetta.protocols.ligand_docking.rdf.RDFBase,  : rosetta.core.pose.Pose) -> NoneType   If you have code that needs to be run once per pose (for data caching, etc), put it here. Data and other attributes inherited from RDFBase: FunctionSign = <class 'rosetta.protocols.ligand_docking.rdf.RDFBase.FunctionSign'> an enum of the possible states that a signed RDF can have LigandMinusProteinPlus = FunctionSign.LigandMinusProteinPlus LigandPlusProteinMinus = FunctionSign.LigandPlusProteinMinus SameSign = FunctionSign.SameSign   class RDFFunctionCreator(builtins.object)     The Creator class is responsible for creating a particular RDF Function class.     Methods defined here: __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(rosetta.protocols.ligand_docking.rdf.RDFFunctionCreator) -> NoneType   2. __init__(rosetta.protocols.ligand_docking.rdf.RDFFunctionCreator, rosetta.protocols.ligand_docking.rdf.RDFFunctionCreator) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFFunctionCreator,  : rosetta.protocols.ligand_docking.rdf.RDFFunctionCreator) -> rosetta.protocols.ligand_docking.rdf.RDFFunctionCreator create_rdf_function(...) from builtins.PyCapsule create_rdf_function(rosetta.protocols.ligand_docking.rdf.RDFFunctionCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBase type_name(...) from builtins.PyCapsule type_name(rosetta.protocols.ligand_docking.rdf.RDFFunctionCreator) -> str   class RDFFunctionFactory(builtins.object)     Create RDFFunctions     Methods defined here: __init__(self, /, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. factory_register(...) from builtins.PyCapsule factory_register(self : rosetta.protocols.ligand_docking.rdf.RDFFunctionFactory, creator : rosetta.protocols.ligand_docking.rdf.RDFFunctionCreator) -> NoneType get_all_function_names(...) from builtins.PyCapsule get_all_function_names(rosetta.protocols.ligand_docking.rdf.RDFFunctionFactory) -> rosetta.utility.vector1_std_string get_instance(...) from builtins.PyCapsule get_instance() -> rosetta.protocols.ligand_docking.rdf.RDFFunctionFactory get_rdf_function(...) from builtins.PyCapsule get_rdf_function(*args, **kwargs) Overloaded function.   1. get_rdf_function(self : rosetta.protocols.ligand_docking.rdf.RDFFunctionFactory, type_name : str) -> rosetta.protocols.ligand_docking.rdf.RDFBase   2. get_rdf_function(self : rosetta.protocols.ligand_docking.rdf.RDFFunctionFactory, tag : rosetta.utility.tag.Tag, data : rosetta.basic.datacache.DataMap) -> rosetta.protocols.ligand_docking.rdf.RDFBase   convienence header for use with RosettaScripts parse_my_tag interface   class RDFHbondCreator(RDFFunctionCreator)     Creator to geneate a new RDFHbondFunction     Method resolution order: RDFHbondCreator RDFFunctionCreator builtins.object Methods defined here: __init__(...) from builtins.PyCapsule __init__(handle) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFHbondCreator,  : rosetta.protocols.ligand_docking.rdf.RDFHbondCreator) -> rosetta.protocols.ligand_docking.rdf.RDFHbondCreator create_rdf_function(...) from builtins.PyCapsule create_rdf_function(rosetta.protocols.ligand_docking.rdf.RDFHbondCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBase   return a pointer to a newly created RDFHbondFunction type_name(...) from builtins.PyCapsule type_name(rosetta.protocols.ligand_docking.rdf.RDFHbondCreator) -> str   return the name of the RDFHbondFunction   class RDFHbondFunction(RDFBase)     RDFHbondFunction computes h-bonding energy for a pair of atoms.     Method resolution order: RDFHbondFunction RDFBase builtins.object Methods defined here: __call__(...) from builtins.PyCapsule __call__(self : rosetta.protocols.ligand_docking.rdf.RDFHbondFunction, atom_data : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> rosetta.utility.vector1_std_pair_std_string_double_t   compute hbond energy for atom pair __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(handle) -> NoneType   2. __init__(handle, rosetta.protocols.ligand_docking.rdf.RDFHbondFunction) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFHbondFunction,  : rosetta.protocols.ligand_docking.rdf.RDFHbondFunction) -> rosetta.protocols.ligand_docking.rdf.RDFHbondFunction parse_my_tag(...) from builtins.PyCapsule parse_my_tag(self : rosetta.protocols.ligand_docking.rdf.RDFHbondFunction, tag : rosetta.utility.tag.Tag, data_map : rosetta.basic.datacache.DataMap) -> NoneType   parse tags for RDFHbondFunction tag preamble(...) from builtins.PyCapsule preamble(self : rosetta.protocols.ligand_docking.rdf.RDFHbondFunction, pose : rosetta.core.pose.Pose) -> NoneType   setup hbond database for each pose Methods inherited from RDFBase: add_function_name(...) from builtins.PyCapsule add_function_name(self : rosetta.protocols.ligand_docking.rdf.RDFBase, name : str) -> NoneType   add a function name to the list get_function_names(...) from builtins.PyCapsule get_function_names(rosetta.protocols.ligand_docking.rdf.RDFBase) -> rosetta.utility.vector1_std_string   get a list of all the function names which will be present in RDFResultList after operator() is called Data and other attributes inherited from RDFBase: FunctionSign = <class 'rosetta.protocols.ligand_docking.rdf.RDFBase.FunctionSign'> an enum of the possible states that a signed RDF can have LigandMinusProteinPlus = FunctionSign.LigandMinusProteinPlus LigandPlusProteinMinus = FunctionSign.LigandPlusProteinMinus SameSign = FunctionSign.SameSign   class RDFOrbitalFunction(RDFBase)     RDFOrbitalFunction computes the orbital score energies of a pair of atoms     Method resolution order: RDFOrbitalFunction RDFBase builtins.object Methods defined here: __call__(...) from builtins.PyCapsule __call__(self : rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunction, atom_data : rosetta.protocols.ligand_docking.rdf.AtomPairData) -> rosetta.utility.vector1_std_pair_std_string_double_t   compute binary hbond status for atom pair __init__(...) from builtins.PyCapsule __init__(*args, **kwargs) Overloaded function.   1. __init__(handle) -> NoneType   2. __init__(handle, rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunction) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunction,  : rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunction) -> rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunction parse_my_tag(...) from builtins.PyCapsule parse_my_tag(self : rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunction, tag : rosetta.utility.tag.Tag, data_map : rosetta.basic.datacache.DataMap) -> NoneType   parse tags for RDFOrbitalFunction tag preamble(...) from builtins.PyCapsule preamble(self : rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunction, pose : rosetta.core.pose.Pose) -> NoneType   update residue neighbors and cache current pose Methods inherited from RDFBase: add_function_name(...) from builtins.PyCapsule add_function_name(self : rosetta.protocols.ligand_docking.rdf.RDFBase, name : str) -> NoneType   add a function name to the list get_function_names(...) from builtins.PyCapsule get_function_names(rosetta.protocols.ligand_docking.rdf.RDFBase) -> rosetta.utility.vector1_std_string   get a list of all the function names which will be present in RDFResultList after operator() is called Data and other attributes inherited from RDFBase: FunctionSign = <class 'rosetta.protocols.ligand_docking.rdf.RDFBase.FunctionSign'> an enum of the possible states that a signed RDF can have LigandMinusProteinPlus = FunctionSign.LigandMinusProteinPlus LigandPlusProteinMinus = FunctionSign.LigandPlusProteinMinus SameSign = FunctionSign.SameSign   class RDFOrbitalFunctionCreator(RDFFunctionCreator)     Creator to geneate a new RDFOrbitalFunction     Method resolution order: RDFOrbitalFunctionCreator RDFFunctionCreator builtins.object Methods defined here: __init__(...) from builtins.PyCapsule __init__(handle) -> NoneType __new__(*args, **kwargs) from builtins.type Create and return a new object.  See help(type) for accurate signature. assign(...) from builtins.PyCapsule assign(self : rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunctionCreator,  : rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunctionCreator) -> rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunctionCreator create_rdf_function(...) from builtins.PyCapsule create_rdf_function(rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunctionCreator) -> rosetta.protocols.ligand_docking.rdf.RDFBase   return a pointer to a newly created RDFOrbitalFunction type_name(...) from builtins.PyCapsule type_name(rosetta.protocols.ligand_docking.rdf.RDFOrbitalFunctionCreator) -> str   return the name of the RDFOrbitalFunction