Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Module _msys :: Class SystemPtr

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Class SystemPtr

 object --+    
          |    
??.instance --+
              |
             SystemPtr

Instance Methods

[hide private]

__eq__(...)
__eq__( (SystemPtr)arg1, (SystemPtr)arg2) -> bool :

__hash__(...)
__hash__( (SystemPtr)arg1) -> int :

__init__(...)
Raises an exception This class cannot be instantiated from Python

__ne__(...)
__ne__( (SystemPtr)arg1, (SystemPtr)arg2) -> bool :

__reduce__(...)
helper for pickle

addAtom(...)
addAtom( (SystemPtr)arg1, (int)arg2) -> int :

addAtomProp(...)
addAtomProp( (SystemPtr)arg1, (str)arg2, (object)arg3) -> int :

addAuxTable(...)
addAuxTable( (SystemPtr)arg1, (str)arg2, (ParamTablePtr)arg3) -> None :

addBond(...)
addBond( (SystemPtr)arg1, (int)arg2, (int)arg3) -> int :

addBondProp(...)
addBondProp( (SystemPtr)arg1, (str)arg2, (object)arg3) -> int :

addChain(...)
addChain( (SystemPtr)arg1, (int)arg2) -> int :

addCt(...)
addCt( (SystemPtr)arg1) -> int :

addNonbondedFromSchema(...)
addNonbondedFromSchema( (SystemPtr)arg1, (str)arg2, (str)arg3) -> TermTablePtr :

addResidue(...)
addResidue( (SystemPtr)arg1, (int)arg2) -> int :

addTable(...)
addTable( (SystemPtr)arg1, (str)arg2, (int)arg3, (object)arg4) -> TermTablePtr :

addTableFromSchema(...)
addTableFromSchema( (SystemPtr)arg1, (str)arg2, (str)arg3) -> TermTablePtr :

append(...)
append( (SystemPtr)arg1, (SystemPtr)arg2, (int)arg3) -> list :

atom(...)
atom( (SystemPtr)arg1, (int)arg2) -> atom_t :

atomCount(...)
atomCount( (SystemPtr)arg1) -> int :

atomCountForCt(...)
atomCountForCt( (SystemPtr)arg1, (int)arg2) -> int :

atomCountForResidue(...)
atomCountForResidue( (SystemPtr)arg1, (int)arg2) -> int :

atomPropCount(...)
atomPropCount( (SystemPtr)arg1) -> int :

atomPropIndex(...)
atomPropIndex( (SystemPtr)arg1, (str)arg2) -> int :

atomPropName(...)
atomPropName( (SystemPtr)arg1, (int)arg2) -> str :

atomPropType(...)
atomPropType( (SystemPtr)arg1, (int)arg2) -> object :

atoms(...)
atoms( (SystemPtr)arg1) -> object :

atomsAsList(...)
atomsAsList( (SystemPtr)arg1) -> object :

atomsForCt(...)
atomsForCt( (SystemPtr)arg1, (int)arg2) -> list :

atomsForResidue(...)
atomsForResidue( (SystemPtr)arg1, (int)arg2) -> list :

auxTable(...)
auxTable( (SystemPtr)arg1, (str)arg2) -> ParamTablePtr :

auxTableNames(...)
auxTableNames( (SystemPtr)arg1) -> list :

bond(...)
bond( (SystemPtr)arg1, (int)arg2) -> bond_t :

bondCount(...)
bondCount( (SystemPtr)arg1) -> int :

bondCountForAtom(...)
bondCountForAtom( (SystemPtr)arg1, (int)arg2) -> int :

bondPropCount(...)
bondPropCount( (SystemPtr)arg1) -> int :

bondPropIndex(...)
bondPropIndex( (SystemPtr)arg1, (str)arg2) -> int :

bondPropName(...)
bondPropName( (SystemPtr)arg1, (int)arg2) -> str :

bondPropType(...)
bondPropType( (SystemPtr)arg1, (int)arg2) -> object :

bondedAtoms(...)
bondedAtoms( (SystemPtr)arg1, (int)arg2) -> list :

bonds(...)
bonds( (SystemPtr)arg1) -> list :

bondsForAtom(...)
bondsForAtom( (SystemPtr)arg1, (int)arg2) -> list :

bondsForCt(...)
bondsForCt( (SystemPtr)arg1, (int)arg2) -> list :

chain(...)
chain( (SystemPtr)arg1, (int)arg2) -> chain_t :

chainCount(...)
chainCount( (SystemPtr)arg1) -> int :

chainCountForCt(...)
chainCountForCt( (SystemPtr)arg1, (int)arg2) -> int :

chains(...)
chains( (SystemPtr)arg1) -> list :

chainsForCt(...)
chainsForCt( (SystemPtr)arg1, (int)arg2) -> list :

clone(...)
clone( (SystemPtr)arg1, (list)arg2, (CloneOption)arg3) -> SystemPtr :

coalesceTables(...)
coalesceTables( (SystemPtr)arg1) -> None :

ct(...)
ct( (SystemPtr)arg1, (int)arg2) -> component_t :

ctCount(...)
ctCount( (SystemPtr)arg1) -> int :

cts(...)
cts( (SystemPtr)arg1) -> list :

delAtom(...)
delAtom( (SystemPtr)arg1, (int)arg2) -> None :

delAtomProp(...)
delAtomProp( (SystemPtr)arg1, (int)arg2) -> None :

delAuxTable(...)
delAuxTable( (SystemPtr)arg1, (str)arg2) -> None :

delBond(...)
delBond( (SystemPtr)arg1, (int)arg2) -> None :

delBondProp(...)
delBondProp( (SystemPtr)arg1, (int)arg2) -> None :

delChain(...)
delChain( (SystemPtr)arg1, (int)arg2) -> None :

delCt(...)
delCt( (SystemPtr)arg1, (int)arg2) -> None :

delResidue(...)
delResidue( (SystemPtr)arg1, (int)arg2) -> None :

delTable(...)
delTable( (SystemPtr)arg1, (str)arg2) -> None :

findBond(...)
findBond( (SystemPtr)arg1, (int)arg2, (int)arg3) -> int :

findContactIds(...)
findContactIds( (SystemPtr)arg1, (float)arg2, (object)arg3, (object)arg4, (object)arg5) -> list :

getAtomProp(...)
getAtomProp( (SystemPtr)arg1, (int)arg2, (str)arg3) -> object :

getBondProp(...)
getBondProp( (SystemPtr)arg1, (int)arg2, (str)arg3) -> object :

getPositions(...)
getPositions( (SystemPtr)arg1 [, (object)ids=None]) -> object :

getVelocities(...)
getVelocities( (SystemPtr)arg1 [, (object)ids=None]) -> object :

hasAtom(...)
hasAtom( (SystemPtr)arg1, (int)arg2) -> bool :

hasBond(...)
hasBond( (SystemPtr)arg1, (int)arg2) -> bool :

hasChain(...)
hasChain( (SystemPtr)arg1, (int)arg2) -> bool :

hasCt(...)
hasCt( (SystemPtr)arg1, (int)arg2) -> bool :

hasResidue(...)
hasResidue( (SystemPtr)arg1, (int)arg2) -> bool :

maxAtomId(...)
maxAtomId( (SystemPtr)arg1) -> int :

maxBondId(...)
maxBondId( (SystemPtr)arg1) -> int :

maxChainId(...)
maxChainId( (SystemPtr)arg1) -> int :

maxCtId(...)
maxCtId( (SystemPtr)arg1) -> int :

maxResidueId(...)
maxResidueId( (SystemPtr)arg1) -> int :

orderedIds(...)
orderedIds( (SystemPtr)arg1) -> list :

provenance(...)
provenance( (SystemPtr)arg1) -> list :

removeAuxTable(...)
removeAuxTable( (SystemPtr)arg1, (ParamTablePtr)arg2) -> None :

removeTable(...)
removeTable( (SystemPtr)arg1, (TermTablePtr)arg2) -> None :

renameTable(...)
renameTable( (SystemPtr)arg1, (str)arg2, (str)arg3) -> None :

residue(...)
residue( (SystemPtr)arg1, (int)arg2) -> residue_t :

residueCount(...)
residueCount( (SystemPtr)arg1) -> int :

residueCountForChain(...)
residueCountForChain( (SystemPtr)arg1, (int)arg2) -> int :

residues(...)
residues( (SystemPtr)arg1) -> list :

residuesForChain(...)
residuesForChain( (SystemPtr)arg1, (int)arg2) -> list :

select(...)
select( (SystemPtr)mol, (str)sel [, (object)pos=None [, (object)box=None]]) -> _vectj :

selectAsArray(...)
selectAsArray( (SystemPtr)mol, (str)sel [, (object)pos=None [, (object)box=None]]) -> object :

selectAsList(...)
selectAsList( (SystemPtr)mol, (str)sel [, (object)pos=None [, (object)box=None]]) -> object :

setAtomProp(...)
setAtomProp( (SystemPtr)arg1, (int)arg2, (str)arg3, (object)arg4) -> None :

setBondProp(...)
setBondProp( (SystemPtr)arg1, (int)arg2, (str)arg3, (object)arg4) -> None :

setChain(...)
setChain( (SystemPtr)arg1, (int)arg2, (int)arg3) -> None :

setCt(...)
setCt( (SystemPtr)arg1, (int)arg2, (int)arg3) -> None :

setPositions(...)
setPositions( (SystemPtr)arg1, (object)pos [, (object)ids=None]) -> None :

setResidue(...)
setResidue( (SystemPtr)arg1, (int)arg2, (int)arg3) -> None :

setVelocities(...)
setVelocities( (SystemPtr)arg1, (object)vel [, (object)ids=None]) -> None :

table(...)
table( (SystemPtr)arg1, (str)arg2) -> TermTablePtr :

tableName(...)
tableName( (SystemPtr)arg1, (object)arg2) -> str :

tableNames(...)
tableNames( (SystemPtr)arg1) -> list :

topology(...)
topology( (SystemPtr)arg1) -> Topology :

translate(...)
translate( (SystemPtr)arg1, (float)arg2, (float)arg3, (float)arg4) -> None :

updateFragids(...)
updateFragids( (SystemPtr)arg1) -> list :

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Static Methods

[hide private]

SystemPtr :

create()
C++ signature :...

Properties

[hide private]

global_cell

name

nonbonded_info

Inherited from object: __class__

Method Details

[hide private]

eq(...)
(Equality operator)


__eq__( (SystemPtr)arg1, (SystemPtr)arg2) -> bool :

    C++ signature :
        bool __eq__(std::shared_ptr<desres::msys::System>,std::shared_ptr<desres::msys::System>)

hash(...)
(Hashing function)


__hash__( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned long __hash__(std::shared_ptr<desres::msys::System>)

Overrides: object.__hash__

init(...)
(Constructor)

Raises an exception This class cannot be instantiated from Python

Overrides: object.__init__

ne(...)


__ne__( (SystemPtr)arg1, (SystemPtr)arg2) -> bool :

    C++ signature :
        bool __ne__(std::shared_ptr<desres::msys::System>,std::shared_ptr<desres::msys::System>)

reduce(...)

helper for pickle

Overrides: object.__reduce__: (inherited documentation)

addAtom(...)


addAtom( (SystemPtr)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int addAtom(desres::msys::System {lvalue},unsigned int)

addAtomProp(...)


addAtomProp( (SystemPtr)arg1, (str)arg2, (object)arg3) -> int :

    C++ signature :
        unsigned int addAtomProp(desres::msys::System {lvalue},std::string,boost::python::api::object)

addAuxTable(...)


addAuxTable( (SystemPtr)arg1, (str)arg2, (ParamTablePtr)arg3) -> None :

    C++ signature :
        void addAuxTable(desres::msys::System {lvalue},std::string,std::shared_ptr<desres::msys::ParamTable>)

addBond(...)


addBond( (SystemPtr)arg1, (int)arg2, (int)arg3) -> int :

    C++ signature :
        unsigned int addBond(desres::msys::System {lvalue},unsigned int,unsigned int)

addBondProp(...)


addBondProp( (SystemPtr)arg1, (str)arg2, (object)arg3) -> int :

    C++ signature :
        unsigned int addBondProp(desres::msys::System {lvalue},std::string,boost::python::api::object)

addChain(...)


addChain( (SystemPtr)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int addChain(desres::msys::System {lvalue},unsigned int)

addCt(...)


addCt( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int addCt(desres::msys::System {lvalue})

addNonbondedFromSchema(...)


addNonbondedFromSchema( (SystemPtr)arg1, (str)arg2, (str)arg3) -> TermTablePtr :

    C++ signature :
        std::shared_ptr<desres::msys::TermTable> addNonbondedFromSchema(std::shared_ptr<desres::msys::System>,std::string,std::string)

addResidue(...)


addResidue( (SystemPtr)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int addResidue(desres::msys::System {lvalue},unsigned int)

addTable(...)


addTable( (SystemPtr)arg1, (str)arg2, (int)arg3, (object)arg4) -> TermTablePtr :

    C++ signature :
        std::shared_ptr<desres::msys::TermTable> addTable(std::shared_ptr<desres::msys::System>,std::string,unsigned int,_object*)

addTableFromSchema(...)


addTableFromSchema( (SystemPtr)arg1, (str)arg2, (str)arg3) -> TermTablePtr :

    C++ signature :
        std::shared_ptr<desres::msys::TermTable> addTableFromSchema(std::shared_ptr<desres::msys::System>,std::string,std::string)

append(...)


append( (SystemPtr)arg1, (SystemPtr)arg2, (int)arg3) -> list :

    C++ signature :
        boost::python::list append(std::shared_ptr<desres::msys::System>,std::shared_ptr<desres::msys::System>,unsigned int)

atom(...)


atom( (SystemPtr)arg1, (int)arg2) -> atom_t :

    C++ signature :
        desres::msys::atom_t {lvalue} atom(desres::msys::System {lvalue},unsigned int)

atomCount(...)


atomCount( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int atomCount(desres::msys::System {lvalue})

atomCountForCt(...)


atomCountForCt( (SystemPtr)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int atomCountForCt(desres::msys::System {lvalue},unsigned int)

atomCountForResidue(...)


atomCountForResidue( (SystemPtr)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int atomCountForResidue(desres::msys::System {lvalue},unsigned int)

atomPropCount(...)


atomPropCount( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int atomPropCount(desres::msys::System {lvalue})

atomPropIndex(...)


atomPropIndex( (SystemPtr)arg1, (str)arg2) -> int :

    C++ signature :
        unsigned int atomPropIndex(desres::msys::System {lvalue},std::string)

atomPropName(...)


atomPropName( (SystemPtr)arg1, (int)arg2) -> str :

    C++ signature :
        std::string atomPropName(desres::msys::System {lvalue},unsigned int)

atomPropType(...)


atomPropType( (SystemPtr)arg1, (int)arg2) -> object :

    C++ signature :
        _object* atomPropType(desres::msys::System {lvalue},unsigned int)

atoms(...)


atoms( (SystemPtr)arg1) -> object :

    C++ signature :
        _object* atoms(std::shared_ptr<desres::msys::System>)

atomsAsList(...)


atomsAsList( (SystemPtr)arg1) -> object :

    C++ signature :
        _object* atomsAsList(std::shared_ptr<desres::msys::System>)

atomsForCt(...)


atomsForCt( (SystemPtr)arg1, (int)arg2) -> list :

    C++ signature :
        boost::python::list atomsForCt(desres::msys::System {lvalue},unsigned int)

atomsForResidue(...)


atomsForResidue( (SystemPtr)arg1, (int)arg2) -> list :

    C++ signature :
        boost::python::list atomsForResidue(desres::msys::System {lvalue},unsigned int)

auxTable(...)


auxTable( (SystemPtr)arg1, (str)arg2) -> ParamTablePtr :

    C++ signature :
        std::shared_ptr<desres::msys::ParamTable> auxTable(desres::msys::System {lvalue},std::string)

auxTableNames(...)


auxTableNames( (SystemPtr)arg1) -> list :

    C++ signature :
        boost::python::list auxTableNames(desres::msys::System)

bond(...)


bond( (SystemPtr)arg1, (int)arg2) -> bond_t :

    C++ signature :
        desres::msys::bond_t {lvalue} bond(desres::msys::System {lvalue},unsigned int)

bondCount(...)


bondCount( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int bondCount(desres::msys::System {lvalue})

bondCountForAtom(...)


bondCountForAtom( (SystemPtr)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int bondCountForAtom(desres::msys::System {lvalue},unsigned int)

bondPropCount(...)


bondPropCount( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int bondPropCount(desres::msys::System {lvalue})

bondPropIndex(...)


bondPropIndex( (SystemPtr)arg1, (str)arg2) -> int :

    C++ signature :
        unsigned int bondPropIndex(desres::msys::System {lvalue},std::string)

bondPropName(...)


bondPropName( (SystemPtr)arg1, (int)arg2) -> str :

    C++ signature :
        std::string bondPropName(desres::msys::System {lvalue},unsigned int)

bondPropType(...)


bondPropType( (SystemPtr)arg1, (int)arg2) -> object :

    C++ signature :
        _object* bondPropType(desres::msys::System {lvalue},unsigned int)

bondedAtoms(...)


bondedAtoms( (SystemPtr)arg1, (int)arg2) -> list :

    C++ signature :
        boost::python::list bondedAtoms(desres::msys::System {lvalue},unsigned int)

bonds(...)


bonds( (SystemPtr)arg1) -> list :

    C++ signature :
        boost::python::list bonds(desres::msys::System {lvalue})

bondsForAtom(...)


bondsForAtom( (SystemPtr)arg1, (int)arg2) -> list :

    C++ signature :
        boost::python::list bondsForAtom(desres::msys::System {lvalue},unsigned int)

bondsForCt(...)


bondsForCt( (SystemPtr)arg1, (int)arg2) -> list :

    C++ signature :
        boost::python::list bondsForCt(desres::msys::System {lvalue},unsigned int)

chain(...)


chain( (SystemPtr)arg1, (int)arg2) -> chain_t :

    C++ signature :
        desres::msys::chain_t {lvalue} chain(desres::msys::System {lvalue},unsigned int)

chainCount(...)


chainCount( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int chainCount(desres::msys::System {lvalue})

chainCountForCt(...)


chainCountForCt( (SystemPtr)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int chainCountForCt(desres::msys::System {lvalue},unsigned int)

chains(...)


chains( (SystemPtr)arg1) -> list :

    C++ signature :
        boost::python::list chains(desres::msys::System {lvalue})

chainsForCt(...)


chainsForCt( (SystemPtr)arg1, (int)arg2) -> list :

    C++ signature :
        boost::python::list chainsForCt(desres::msys::System {lvalue},unsigned int)

clone(...)


clone( (SystemPtr)arg1, (list)arg2, (CloneOption)arg3) -> SystemPtr :

    C++ signature :
        std::shared_ptr<desres::msys::System> clone(std::shared_ptr<desres::msys::System>,boost::python::list,desres::msys::CloneOption::Flags)

coalesceTables(...)


coalesceTables( (SystemPtr)arg1) -> None :

    C++ signature :
        void coalesceTables(desres::msys::System {lvalue})

create()
Static Method

    C++ signature :
        std::shared_ptr<desres::msys::System> create()

Returns: SystemPtr :

ct(...)


ct( (SystemPtr)arg1, (int)arg2) -> component_t :

    C++ signature :
        desres::msys::component_t {lvalue} ct(desres::msys::System {lvalue},unsigned int)

ctCount(...)


ctCount( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int ctCount(desres::msys::System {lvalue})

cts(...)


cts( (SystemPtr)arg1) -> list :

    C++ signature :
        boost::python::list cts(desres::msys::System {lvalue})

delAtom(...)


delAtom( (SystemPtr)arg1, (int)arg2) -> None :

    C++ signature :
        void delAtom(desres::msys::System {lvalue},unsigned int)

delAtomProp(...)


delAtomProp( (SystemPtr)arg1, (int)arg2) -> None :

    C++ signature :
        void delAtomProp(desres::msys::System {lvalue},unsigned int)

delAuxTable(...)


delAuxTable( (SystemPtr)arg1, (str)arg2) -> None :

    C++ signature :
        void delAuxTable(desres::msys::System {lvalue},std::string)

delBond(...)


delBond( (SystemPtr)arg1, (int)arg2) -> None :

    C++ signature :
        void delBond(desres::msys::System {lvalue},unsigned int)

delBondProp(...)


delBondProp( (SystemPtr)arg1, (int)arg2) -> None :

    C++ signature :
        void delBondProp(desres::msys::System {lvalue},unsigned int)

delChain(...)


delChain( (SystemPtr)arg1, (int)arg2) -> None :

    C++ signature :
        void delChain(desres::msys::System {lvalue},unsigned int)

delCt(...)


delCt( (SystemPtr)arg1, (int)arg2) -> None :

    C++ signature :
        void delCt(desres::msys::System {lvalue},unsigned int)

delResidue(...)


delResidue( (SystemPtr)arg1, (int)arg2) -> None :

    C++ signature :
        void delResidue(desres::msys::System {lvalue},unsigned int)

delTable(...)


delTable( (SystemPtr)arg1, (str)arg2) -> None :

    C++ signature :
        void delTable(desres::msys::System {lvalue},std::string)

findBond(...)


findBond( (SystemPtr)arg1, (int)arg2, (int)arg3) -> int :

    C++ signature :
        unsigned int findBond(desres::msys::System {lvalue},unsigned int,unsigned int)

findContactIds(...)


findContactIds( (SystemPtr)arg1, (float)arg2, (object)arg3, (object)arg4, (object)arg5) -> list :

    C++ signature :
        boost::python::list findContactIds(desres::msys::System,double,boost::python::api::object,boost::python::api::object,boost::python::api::object)

getAtomProp(...)


getAtomProp( (SystemPtr)arg1, (int)arg2, (str)arg3) -> object :

    C++ signature :
        boost::python::api::object getAtomProp(desres::msys::System {lvalue},unsigned int,std::string)

getBondProp(...)


getBondProp( (SystemPtr)arg1, (int)arg2, (str)arg3) -> object :

    C++ signature :
        boost::python::api::object getBondProp(desres::msys::System {lvalue},unsigned int,std::string)

getPositions(...)


getPositions( (SystemPtr)arg1 [, (object)ids=None]) -> object :

    C++ signature :
        _object* getPositions(desres::msys::System [,boost::python::api::object=None])

getVelocities(...)


getVelocities( (SystemPtr)arg1 [, (object)ids=None]) -> object :

    C++ signature :
        _object* getVelocities(desres::msys::System [,boost::python::api::object=None])

hasAtom(...)


hasAtom( (SystemPtr)arg1, (int)arg2) -> bool :

    C++ signature :
        bool hasAtom(desres::msys::System {lvalue},unsigned int)

hasBond(...)


hasBond( (SystemPtr)arg1, (int)arg2) -> bool :

    C++ signature :
        bool hasBond(desres::msys::System {lvalue},unsigned int)

hasChain(...)


hasChain( (SystemPtr)arg1, (int)arg2) -> bool :

    C++ signature :
        bool hasChain(desres::msys::System {lvalue},unsigned int)

hasCt(...)


hasCt( (SystemPtr)arg1, (int)arg2) -> bool :

    C++ signature :
        bool hasCt(desres::msys::System {lvalue},unsigned int)

hasResidue(...)


hasResidue( (SystemPtr)arg1, (int)arg2) -> bool :

    C++ signature :
        bool hasResidue(desres::msys::System {lvalue},unsigned int)

maxAtomId(...)


maxAtomId( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int maxAtomId(desres::msys::System {lvalue})

maxBondId(...)


maxBondId( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int maxBondId(desres::msys::System {lvalue})

maxChainId(...)


maxChainId( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int maxChainId(desres::msys::System {lvalue})

maxCtId(...)


maxCtId( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int maxCtId(desres::msys::System {lvalue})

maxResidueId(...)


maxResidueId( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int maxResidueId(desres::msys::System {lvalue})

orderedIds(...)


orderedIds( (SystemPtr)arg1) -> list :

    C++ signature :
        boost::python::list orderedIds(desres::msys::System {lvalue})

provenance(...)


provenance( (SystemPtr)arg1) -> list :

    C++ signature :
        boost::python::list provenance(desres::msys::System)

removeAuxTable(...)


removeAuxTable( (SystemPtr)arg1, (ParamTablePtr)arg2) -> None :

    C++ signature :
        void removeAuxTable(desres::msys::System {lvalue},std::shared_ptr<desres::msys::ParamTable>)

removeTable(...)


removeTable( (SystemPtr)arg1, (TermTablePtr)arg2) -> None :

    C++ signature :
        void removeTable(desres::msys::System {lvalue},std::shared_ptr<desres::msys::TermTable>)

renameTable(...)


renameTable( (SystemPtr)arg1, (str)arg2, (str)arg3) -> None :

    C++ signature :
        void renameTable(desres::msys::System {lvalue},std::string,std::string)

residue(...)


residue( (SystemPtr)arg1, (int)arg2) -> residue_t :

    C++ signature :
        desres::msys::residue_t {lvalue} residue(desres::msys::System {lvalue},unsigned int)

residueCount(...)


residueCount( (SystemPtr)arg1) -> int :

    C++ signature :
        unsigned int residueCount(desres::msys::System {lvalue})

residueCountForChain(...)


residueCountForChain( (SystemPtr)arg1, (int)arg2) -> int :

    C++ signature :
        unsigned int residueCountForChain(desres::msys::System {lvalue},unsigned int)

residues(...)


residues( (SystemPtr)arg1) -> list :

    C++ signature :
        boost::python::list residues(desres::msys::System {lvalue})

residuesForChain(...)


residuesForChain( (SystemPtr)arg1, (int)arg2) -> list :

    C++ signature :
        boost::python::list residuesForChain(desres::msys::System {lvalue},unsigned int)

select(...)


select( (SystemPtr)mol, (str)sel [, (object)pos=None [, (object)box=None]]) -> _vectj :

    C++ signature :
        std::vector<unsigned int, std::allocator<unsigned int> > select(std::shared_ptr<desres::msys::System>,std::string [,_object*=None [,_object*=None]])

selectAsArray(...)


selectAsArray( (SystemPtr)mol, (str)sel [, (object)pos=None [, (object)box=None]]) -> object :

    C++ signature :
        _object* selectAsArray(std::shared_ptr<desres::msys::System>,std::string [,_object*=None [,_object*=None]])

selectAsList(...)


selectAsList( (SystemPtr)mol, (str)sel [, (object)pos=None [, (object)box=None]]) -> object :

    C++ signature :
        _object* selectAsList(std::shared_ptr<desres::msys::System>,std::string [,_object*=None [,_object*=None]])

setAtomProp(...)


setAtomProp( (SystemPtr)arg1, (int)arg2, (str)arg3, (object)arg4) -> None :

    C++ signature :
        void setAtomProp(desres::msys::System {lvalue},unsigned int,std::string,boost::python::api::object)

setBondProp(...)


setBondProp( (SystemPtr)arg1, (int)arg2, (str)arg3, (object)arg4) -> None :

    C++ signature :
        void setBondProp(desres::msys::System {lvalue},unsigned int,std::string,boost::python::api::object)

setChain(...)


setChain( (SystemPtr)arg1, (int)arg2, (int)arg3) -> None :

    C++ signature :
        void setChain(desres::msys::System {lvalue},unsigned int,unsigned int)

setCt(...)


setCt( (SystemPtr)arg1, (int)arg2, (int)arg3) -> None :

    C++ signature :
        void setCt(desres::msys::System {lvalue},unsigned int,unsigned int)

setPositions(...)


setPositions( (SystemPtr)arg1, (object)pos [, (object)ids=None]) -> None :

    C++ signature :
        void setPositions(desres::msys::System {lvalue},_object* [,_object*=None])

setResidue(...)


setResidue( (SystemPtr)arg1, (int)arg2, (int)arg3) -> None :

    C++ signature :
        void setResidue(desres::msys::System {lvalue},unsigned int,unsigned int)

setVelocities(...)


setVelocities( (SystemPtr)arg1, (object)vel [, (object)ids=None]) -> None :

    C++ signature :
        void setVelocities(desres::msys::System {lvalue},_object* [,_object*=None])

table(...)


table( (SystemPtr)arg1, (str)arg2) -> TermTablePtr :

    C++ signature :
        std::shared_ptr<desres::msys::TermTable> table(desres::msys::System {lvalue},std::string)

tableName(...)


tableName( (SystemPtr)arg1, (object)arg2) -> str :

    C++ signature :
        std::string tableName(desres::msys::System {lvalue},std::shared_ptr<desres::msys::TermTable const>)

tableNames(...)


tableNames( (SystemPtr)arg1) -> list :

    C++ signature :
        boost::python::list tableNames(desres::msys::System)

topology(...)


topology( (SystemPtr)arg1) -> Topology :

    C++ signature :
        desres::msys::pfx::Graph* topology(std::shared_ptr<desres::msys::System>)

translate(...)


translate( (SystemPtr)arg1, (float)arg2, (float)arg3, (float)arg4) -> None :

    C++ signature :
        void translate(desres::msys::System {lvalue},double,double,double)

updateFragids(...)


updateFragids( (SystemPtr)arg1) -> list :

    C++ signature :
        boost::python::list updateFragids(desres::msys::System {lvalue})

Property Details

[hide private]

global_cell

Get Method:: unreachable(...)

name

Get Method:: unreachable(...)
Set Method:: unreachable(...)

nonbonded_info

Get Method:: unreachable(...)
Set Method:: unreachable(...)

Class SystemPtr

__eq__(...) (Equality operator)

__hash__(...) (Hashing function)

__init__(...) (Constructor)

__ne__(...)

__reduce__(...)

addAtom(...)

addAtomProp(...)

addAuxTable(...)

addBond(...)

addBondProp(...)

addChain(...)

addCt(...)

addNonbondedFromSchema(...)

addResidue(...)

addTable(...)

addTableFromSchema(...)

append(...)

atom(...)

atomCount(...)

atomCountForCt(...)

atomCountForResidue(...)

atomPropCount(...)

atomPropIndex(...)

atomPropName(...)

atomPropType(...)

atoms(...)

atomsAsList(...)

atomsForCt(...)

atomsForResidue(...)

auxTable(...)

auxTableNames(...)

bond(...)

bondCount(...)

bondCountForAtom(...)

bondPropCount(...)

bondPropIndex(...)

bondPropName(...)

bondPropType(...)

bondedAtoms(...)

bonds(...)

bondsForAtom(...)

bondsForCt(...)

chain(...)

chainCount(...)

chainCountForCt(...)

chains(...)

chainsForCt(...)

clone(...)

coalesceTables(...)

create() Static Method

ct(...)

ctCount(...)

cts(...)

delAtom(...)

delAtomProp(...)

delAuxTable(...)

delBond(...)

delBondProp(...)

delChain(...)

delCt(...)

delResidue(...)

delTable(...)

findBond(...)

findContactIds(...)

getAtomProp(...)

getBondProp(...)

getPositions(...)

getVelocities(...)

hasAtom(...)

hasBond(...)

hasChain(...)

hasCt(...)

hasResidue(...)

maxAtomId(...)

maxBondId(...)

maxChainId(...)

maxCtId(...)

maxResidueId(...)

orderedIds(...)

eq(...)
(Equality operator)

hash(...)
(Hashing function)

init(...)
(Constructor)

ne(...)

reduce(...)

create()
Static Method