void register_VelocitiesFromProperty_class(){ { //::SireMove::VelocitiesFromProperty typedef bp::class_< SireMove::VelocitiesFromProperty, bp::bases< SireMove::VelocityGenerator, SireBase::Property > > VelocitiesFromProperty_exposer_t; VelocitiesFromProperty_exposer_t VelocitiesFromProperty_exposer = VelocitiesFromProperty_exposer_t( "VelocitiesFromProperty", "This is a velocity generator that extracts velocities from a\nspecified molecular property\n\nAuthor: Christopher Woods\n", bp::init< >("Constructor") ); bp::scope VelocitiesFromProperty_scope( VelocitiesFromProperty_exposer ); VelocitiesFromProperty_exposer.def( bp::init< SireBase::PropertyName const & >(( bp::arg("property") ), "Construct to get the velocities from the property property") ); VelocitiesFromProperty_exposer.def( bp::init< SireMove::VelocitiesFromProperty const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireMove::VelocitiesFromProperty::generate typedef ::SireMol::AtomVelocities ( ::SireMove::VelocitiesFromProperty::*generate_function_type)( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) const; generate_function_type generate_function_value( &::SireMove::VelocitiesFromProperty::generate ); VelocitiesFromProperty_exposer.def( "generate" , generate_function_value , ( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ) , "Return the velocities from the specified property" ); } VelocitiesFromProperty_exposer.def( bp::self != bp::self ); { //::SireMove::VelocitiesFromProperty::operator= typedef ::SireMove::VelocitiesFromProperty & ( ::SireMove::VelocitiesFromProperty::*assign_function_type)( ::SireMove::VelocitiesFromProperty const & ) ; assign_function_type assign_function_value( &::SireMove::VelocitiesFromProperty::operator= ); VelocitiesFromProperty_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } VelocitiesFromProperty_exposer.def( bp::self == bp::self ); { //::SireMove::VelocitiesFromProperty::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMove::VelocitiesFromProperty::typeName ); VelocitiesFromProperty_exposer.def( "typeName" , typeName_function_value , "" ); } VelocitiesFromProperty_exposer.staticmethod( "typeName" ); VelocitiesFromProperty_exposer.def( "__copy__", &__copy__); VelocitiesFromProperty_exposer.def( "__deepcopy__", &__copy__); VelocitiesFromProperty_exposer.def( "clone", &__copy__); VelocitiesFromProperty_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMove::VelocitiesFromProperty >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); VelocitiesFromProperty_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMove::VelocitiesFromProperty >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); VelocitiesFromProperty_exposer.def( "__str__", &__str__< ::SireMove::VelocitiesFromProperty > ); VelocitiesFromProperty_exposer.def( "__repr__", &__str__< ::SireMove::VelocitiesFromProperty > ); } }
void register_NullVelocityGenerator_class(){ { //::SireMove::NullVelocityGenerator typedef bp::class_< SireMove::NullVelocityGenerator, bp::bases< SireMove::VelocityGenerator, SireBase::Property > > NullVelocityGenerator_exposer_t; NullVelocityGenerator_exposer_t NullVelocityGenerator_exposer = NullVelocityGenerator_exposer_t( "NullVelocityGenerator", bp::init< >() ); bp::scope NullVelocityGenerator_scope( NullVelocityGenerator_exposer ); NullVelocityGenerator_exposer.def( bp::init< SireMove::NullVelocityGenerator const & >(( bp::arg("other") )) ); { //::SireMove::NullVelocityGenerator::generate typedef ::SireMol::AtomVelocities ( ::SireMove::NullVelocityGenerator::*generate_function_type )( ::SireMol::MoleculeView const &,::SireBase::PropertyMap const & ) const; generate_function_type generate_function_value( &::SireMove::NullVelocityGenerator::generate ); NullVelocityGenerator_exposer.def( "generate" , generate_function_value , ( bp::arg("molview"), bp::arg("map")=SireBase::PropertyMap() ) ); } NullVelocityGenerator_exposer.def( bp::self != bp::self ); { //::SireMove::NullVelocityGenerator::operator= typedef ::SireMove::NullVelocityGenerator & ( ::SireMove::NullVelocityGenerator::*assign_function_type )( ::SireMove::NullVelocityGenerator const & ) ; assign_function_type assign_function_value( &::SireMove::NullVelocityGenerator::operator= ); NullVelocityGenerator_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() ); } NullVelocityGenerator_exposer.def( bp::self == bp::self ); { //::SireMove::NullVelocityGenerator::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMove::NullVelocityGenerator::typeName ); NullVelocityGenerator_exposer.def( "typeName" , typeName_function_value ); } NullVelocityGenerator_exposer.staticmethod( "typeName" ); NullVelocityGenerator_exposer.def( "__copy__", &__copy__); NullVelocityGenerator_exposer.def( "__deepcopy__", &__copy__); NullVelocityGenerator_exposer.def( "clone", &__copy__); NullVelocityGenerator_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMove::NullVelocityGenerator >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); NullVelocityGenerator_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMove::NullVelocityGenerator >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); NullVelocityGenerator_exposer.def( "__str__", &__str__< ::SireMove::NullVelocityGenerator > ); NullVelocityGenerator_exposer.def( "__repr__", &__str__< ::SireMove::NullVelocityGenerator > ); } }
void register_MultiVector_class(){ { //::SireMaths::MultiVector typedef bp::class_< SireMaths::MultiVector > MultiVector_exposer_t; MultiVector_exposer_t MultiVector_exposer = MultiVector_exposer_t( "MultiVector", "\nThis is a vectorised version of Vector, e.g. x, y, and z\nare held as MultiDouble objects, meaning that this is a\npacked vector of vectors\n\nAuthor: Christopher Woods\n", bp::init< >("") ); bp::scope MultiVector_scope( MultiVector_exposer ); MultiVector_exposer.def( bp::init< SireMaths::MultiDouble const & >(( bp::arg("value") ), "Copy constructor") ); MultiVector_exposer.def( bp::init< SireMaths::MultiDouble const &, SireMaths::MultiDouble const &, SireMaths::MultiDouble const & >(( bp::arg("x"), bp::arg("y"), bp::arg("z") ), "") ); MultiVector_exposer.def( bp::init< SireMaths::Vector const *, int >(( bp::arg("array"), bp::arg("size") ), "Construct from an array of Vectors. This array cannot be greater\nthan MultiDouble::size()") ); MultiVector_exposer.def( bp::init< QVector< SireMaths::Vector > const & >(( bp::arg("array") ), "Construct from an array of Vectors. This array cannot be greater\nthan MultiDouble::size()") ); MultiVector_exposer.def( bp::init< SireMaths::MultiVector const & >(( bp::arg("other") ), "Copy constructor") ); { //::SireMaths::MultiVector::angle typedef ::SireMaths::MultiDouble ( *angle_function_type )( ::SireMaths::MultiVector const &,::SireMaths::MultiVector const & ); angle_function_type angle_function_value( &::SireMaths::MultiVector::angle ); MultiVector_exposer.def( "angle" , angle_function_value , ( bp::arg("v0"), bp::arg("v1") ) , "Return the angle between vectors v0 and v1 - this is the smallest\nangle, and will always lie between 0 and 180 degrees" ); } { //::SireMaths::MultiVector::angle typedef ::SireMaths::MultiDouble ( *angle_function_type )( ::SireMaths::MultiVector const &,::SireMaths::MultiVector const &,::SireMaths::MultiVector const & ); angle_function_type angle_function_value( &::SireMaths::MultiVector::angle ); MultiVector_exposer.def( "angle" , angle_function_value , ( bp::arg("v0"), bp::arg("v1"), bp::arg("v2") ) , "Return the angle between v0-v1-v2 (treating the vectors as points in space)" ); } { //::SireMaths::MultiVector::at typedef ::SireMaths::Vector ( ::SireMaths::MultiVector::*at_function_type)( int ) const; at_function_type at_function_value( &::SireMaths::MultiVector::at ); MultiVector_exposer.def( "at" , at_function_value , ( bp::arg("i") ) , "Access the ith vector in the MultiVector" ); } { //::SireMaths::MultiVector::b typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*b_function_type)( ) const; b_function_type b_function_value( &::SireMaths::MultiVector::b ); MultiVector_exposer.def( "b" , b_function_value , "Return the components via rgb (limited between 0 and 1)" ); } { //::SireMaths::MultiVector::bearing typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*bearing_function_type)( ) const; bearing_function_type bearing_function_value( &::SireMaths::MultiVector::bearing ); MultiVector_exposer.def( "bearing" , bearing_function_value , "Return the bearing of this vector against (0,1,0) (north) on the xy plane" ); } { //::SireMaths::MultiVector::bearingXY typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*bearingXY_function_type)( ::SireMaths::MultiVector const & ) const; bearingXY_function_type bearingXY_function_value( &::SireMaths::MultiVector::bearingXY ); MultiVector_exposer.def( "bearingXY" , bearingXY_function_value , ( bp::arg("v") ) , "Return the bearing of this vector against v on the xy plane" ); } { //::SireMaths::MultiVector::bearingXZ typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*bearingXZ_function_type)( ::SireMaths::MultiVector const & ) const; bearingXZ_function_type bearingXZ_function_value( &::SireMaths::MultiVector::bearingXZ ); MultiVector_exposer.def( "bearingXZ" , bearingXZ_function_value , ( bp::arg("v") ) , "Return the bearing of this vector against v on the xz plane" ); } { //::SireMaths::MultiVector::bearingYZ typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*bearingYZ_function_type)( ::SireMaths::MultiVector const & ) const; bearingYZ_function_type bearingYZ_function_value( &::SireMaths::MultiVector::bearingYZ ); MultiVector_exposer.def( "bearingYZ" , bearingYZ_function_value , ( bp::arg("v") ) , "Return the bearing of this vector against v on the yz plane" ); } { //::SireMaths::MultiVector::count typedef int ( *count_function_type )( ); count_function_type count_function_value( &::SireMaths::MultiVector::count ); MultiVector_exposer.def( "count" , count_function_value , "Return the number of vectors in this MultiVector" ); } { //::SireMaths::MultiVector::cross typedef ::SireMaths::MultiVector ( *cross_function_type )( ::SireMaths::MultiVector const &,::SireMaths::MultiVector const & ); cross_function_type cross_function_value( &::SireMaths::MultiVector::cross ); MultiVector_exposer.def( "cross" , cross_function_value , ( bp::arg("v0"), bp::arg("v1") ) , "Return the cross product of v0 and v1" ); } { //::SireMaths::MultiVector::dihedral typedef ::SireMaths::MultiDouble ( *dihedral_function_type )( ::SireMaths::MultiVector const &,::SireMaths::MultiVector const &,::SireMaths::MultiVector const &,::SireMaths::MultiVector const & ); dihedral_function_type dihedral_function_value( &::SireMaths::MultiVector::dihedral ); MultiVector_exposer.def( "dihedral" , dihedral_function_value , ( bp::arg("v0"), bp::arg("v1"), bp::arg("v2"), bp::arg("v3") ) , "Return the dihedral angle between v0-v1-v2-v3 (treating the vectors as points)" ); } { //::SireMaths::MultiVector::direction typedef ::SireMaths::MultiVector ( ::SireMaths::MultiVector::*direction_function_type)( ) const; direction_function_type direction_function_value( &::SireMaths::MultiVector::direction ); MultiVector_exposer.def( "direction" , direction_function_value , "Return the unit vector pointing in the direction of this vector" ); } { //::SireMaths::MultiVector::distance typedef ::SireMaths::MultiDouble ( *distance_function_type )( ::SireMaths::MultiVector const &,::SireMaths::MultiVector const & ); distance_function_type distance_function_value( &::SireMaths::MultiVector::distance ); MultiVector_exposer.def( "distance" , distance_function_value , ( bp::arg("v1"), bp::arg("v2") ) , "Return the distance between two vectors" ); } { //::SireMaths::MultiVector::distance2 typedef ::SireMaths::MultiDouble ( *distance2_function_type )( ::SireMaths::MultiVector const &,::SireMaths::MultiVector const & ); distance2_function_type distance2_function_value( &::SireMaths::MultiVector::distance2 ); MultiVector_exposer.def( "distance2" , distance2_function_value , ( bp::arg("v1"), bp::arg("v2") ) , "Return the distance squared between two vectors" ); } { //::SireMaths::MultiVector::dot typedef ::SireMaths::MultiDouble ( *dot_function_type )( ::SireMaths::MultiVector const &,::SireMaths::MultiVector const & ); dot_function_type dot_function_value( &::SireMaths::MultiVector::dot ); MultiVector_exposer.def( "dot" , dot_function_value , ( bp::arg("v0"), bp::arg("v1") ) , "Return the dot product of v0 and v1" ); } { //::SireMaths::MultiVector::fromArray typedef ::QVector< SireMaths::MultiVector > ( *fromArray_function_type )( ::SireMaths::Vector const *,int ); fromArray_function_type fromArray_function_value( &::SireMaths::MultiVector::fromArray ); MultiVector_exposer.def( "fromArray" , fromArray_function_value , ( bp::arg("array"), bp::arg("size") ) , "Convert the passed array of vectors into an array of MultiVectors" ); } { //::SireMaths::MultiVector::fromArray typedef ::QVector< SireMaths::MultiVector > ( *fromArray_function_type )( ::QVector< SireMaths::Vector > const & ); fromArray_function_type fromArray_function_value( &::SireMaths::MultiVector::fromArray ); MultiVector_exposer.def( "fromArray" , fromArray_function_value , ( bp::arg("array") ) , "Convert the passed array of vectors into an array of MultiVectors" ); } { //::SireMaths::MultiVector::g typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*g_function_type)( ) const; g_function_type g_function_value( &::SireMaths::MultiVector::g ); MultiVector_exposer.def( "g" , g_function_value , "Return the components via rgb (limited between 0 and 1)" ); } { //::SireMaths::MultiVector::generate typedef ::SireMaths::MultiVector ( *generate_function_type )( ::SireMaths::MultiDouble const &,::SireMaths::MultiVector const &,::SireMaths::MultiDouble const &,::SireMaths::MultiVector const &,::SireMaths::MultiDouble const &,::SireMaths::MultiVector const & ); generate_function_type generate_function_value( &::SireMaths::MultiVector::generate ); MultiVector_exposer.def( "generate" , generate_function_value , ( bp::arg("dst"), bp::arg("v1"), bp::arg("ang"), bp::arg("v2"), bp::arg("dih"), bp::arg("v3") ) , "Generate a vector, v0, that has distance dst v0-v1, angle ang v0-v1-v2,\nand dihedral dih v0-v1-v2-v3" ); } { //::SireMaths::MultiVector::getitem typedef ::SireMaths::Vector ( ::SireMaths::MultiVector::*getitem_function_type)( int ) const; getitem_function_type getitem_function_value( &::SireMaths::MultiVector::getitem ); MultiVector_exposer.def( "getitem" , getitem_function_value , ( bp::arg("i") ) , "Access the ith vector in the MultiVector" ); } { //::SireMaths::MultiVector::invDistance typedef ::SireMaths::MultiDouble ( *invDistance_function_type )( ::SireMaths::MultiVector const &,::SireMaths::MultiVector const & ); invDistance_function_type invDistance_function_value( &::SireMaths::MultiVector::invDistance ); MultiVector_exposer.def( "invDistance" , invDistance_function_value , ( bp::arg("v1"), bp::arg("v2") ) , "Return the 1 distance between two vectors" ); } { //::SireMaths::MultiVector::invDistance2 typedef ::SireMaths::MultiDouble ( *invDistance2_function_type )( ::SireMaths::MultiVector const &,::SireMaths::MultiVector const & ); invDistance2_function_type invDistance2_function_value( &::SireMaths::MultiVector::invDistance2 ); MultiVector_exposer.def( "invDistance2" , invDistance2_function_value , ( bp::arg("v1"), bp::arg("v2") ) , "Return 1 distance2 between two vectors" ); } { //::SireMaths::MultiVector::invLength typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*invLength_function_type)( ) const; invLength_function_type invLength_function_value( &::SireMaths::MultiVector::invLength ); MultiVector_exposer.def( "invLength" , invLength_function_value , "" ); } { //::SireMaths::MultiVector::invLength2 typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*invLength2_function_type)( ) const; invLength2_function_type invLength2_function_value( &::SireMaths::MultiVector::invLength2 ); MultiVector_exposer.def( "invLength2" , invLength2_function_value , "Return the inverse length squared" ); } { //::SireMaths::MultiVector::length typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*length_function_type)( ) const; length_function_type length_function_value( &::SireMaths::MultiVector::length ); MultiVector_exposer.def( "length" , length_function_value , "" ); } { //::SireMaths::MultiVector::length2 typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*length2_function_type)( ) const; length2_function_type length2_function_value( &::SireMaths::MultiVector::length2 ); MultiVector_exposer.def( "length2" , length2_function_value , "" ); } { //::SireMaths::MultiVector::magnitude typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*magnitude_function_type)( ) const; magnitude_function_type magnitude_function_value( &::SireMaths::MultiVector::magnitude ); MultiVector_exposer.def( "magnitude" , magnitude_function_value , "Return the length of this vector" ); } { //::SireMaths::MultiVector::manhattanLength typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*manhattanLength_function_type)( ) const; manhattanLength_function_type manhattanLength_function_value( &::SireMaths::MultiVector::manhattanLength ); MultiVector_exposer.def( "manhattanLength" , manhattanLength_function_value , "Return the manhattan length of the vector" ); } { //::SireMaths::MultiVector::max typedef ::SireMaths::MultiVector ( ::SireMaths::MultiVector::*max_function_type)( ::SireMaths::MultiVector const & ) const; max_function_type max_function_value( &::SireMaths::MultiVector::max ); MultiVector_exposer.def( "max" , max_function_value , ( bp::arg("other") ) , "Return a vector that has the maximum xyz components out of this\nand other" ); } { //::SireMaths::MultiVector::min typedef ::SireMaths::MultiVector ( ::SireMaths::MultiVector::*min_function_type)( ::SireMaths::MultiVector const & ) const; min_function_type min_function_value( &::SireMaths::MultiVector::min ); MultiVector_exposer.def( "min" , min_function_value , ( bp::arg("other") ) , "Return a vector that has the minimum components" ); } { //::SireMaths::MultiVector::normalise typedef ::SireMaths::MultiVector ( ::SireMaths::MultiVector::*normalise_function_type)( ) const; normalise_function_type normalise_function_value( &::SireMaths::MultiVector::normalise ); MultiVector_exposer.def( "normalise" , normalise_function_value , "Return a normalised form of the vector" ); } MultiVector_exposer.def( bp::self != bp::self ); MultiVector_exposer.def( -bp::self ); { //::SireMaths::MultiVector::operator= typedef ::SireMaths::MultiVector & ( ::SireMaths::MultiVector::*assign_function_type)( ::SireMaths::MultiVector const & ) ; assign_function_type assign_function_value( &::SireMaths::MultiVector::operator= ); MultiVector_exposer.def( "assign" , assign_function_value , ( bp::arg("other") ) , bp::return_self< >() , "" ); } MultiVector_exposer.def( bp::self == bp::self ); { //::SireMaths::MultiVector::operator[] typedef ::SireMaths::Vector ( ::SireMaths::MultiVector::*__getitem___function_type)( int ) const; __getitem___function_type __getitem___function_value( &::SireMaths::MultiVector::operator[] ); MultiVector_exposer.def( "__getitem__" , __getitem___function_value , ( bp::arg("i") ) , "" ); } { //::SireMaths::MultiVector::quickSet typedef void ( ::SireMaths::MultiVector::*quickSet_function_type)( int,::SireMaths::Vector const & ) ; quickSet_function_type quickSet_function_value( &::SireMaths::MultiVector::quickSet ); MultiVector_exposer.def( "quickSet" , quickSet_function_value , ( bp::arg("i"), bp::arg("val") ) , "Quickly set the values of the vector, without checking the index is valid" ); } { //::SireMaths::MultiVector::r typedef ::SireMaths::MultiDouble ( ::SireMaths::MultiVector::*r_function_type)( ) const; r_function_type r_function_value( &::SireMaths::MultiVector::r ); MultiVector_exposer.def( "r" , r_function_value , "Return the components via rgb (limited between 0 and 1)" ); } { //::SireMaths::MultiVector::set typedef void ( ::SireMaths::MultiVector::*set_function_type)( ::SireMaths::MultiDouble const &,::SireMaths::MultiDouble const &,::SireMaths::MultiDouble const & ) ; set_function_type set_function_value( &::SireMaths::MultiVector::set ); MultiVector_exposer.def( "set" , set_function_value , ( bp::arg("x"), bp::arg("y"), bp::arg("z") ) , "Set individual values of the vector" ); } { //::SireMaths::MultiVector::set typedef void ( ::SireMaths::MultiVector::*set_function_type)( int,::SireMaths::Vector const & ) ; set_function_type set_function_value( &::SireMaths::MultiVector::set ); MultiVector_exposer.def( "set" , set_function_value , ( bp::arg("i"), bp::arg("val") ) , "Set individual values of the vector" ); } { //::SireMaths::MultiVector::setB typedef void ( ::SireMaths::MultiVector::*setB_function_type)( ::SireMaths::MultiDouble const & ) ; setB_function_type setB_function_value( &::SireMaths::MultiVector::setB ); MultiVector_exposer.def( "setB" , setB_function_value , ( bp::arg("val") ) , "Set individual values of the vector" ); } { //::SireMaths::MultiVector::setG typedef void ( ::SireMaths::MultiVector::*setG_function_type)( ::SireMaths::MultiDouble const & ) ; setG_function_type setG_function_value( &::SireMaths::MultiVector::setG ); MultiVector_exposer.def( "setG" , setG_function_value , ( bp::arg("val") ) , "Set individual values of the vector" ); } { //::SireMaths::MultiVector::setMax typedef void ( ::SireMaths::MultiVector::*setMax_function_type)( ::SireMaths::MultiVector const & ) ; setMax_function_type setMax_function_value( &::SireMaths::MultiVector::setMax ); MultiVector_exposer.def( "setMax" , setMax_function_value , ( bp::arg("other") ) , "Set this Vector so that it has the maximum xyz components out of\nthis and other (e.g. this->x = max(this->x(),other.x() etc.)" ); } { //::SireMaths::MultiVector::setMin typedef void ( ::SireMaths::MultiVector::*setMin_function_type)( ::SireMaths::MultiVector const & ) ; setMin_function_type setMin_function_value( &::SireMaths::MultiVector::setMin ); MultiVector_exposer.def( "setMin" , setMin_function_value , ( bp::arg("other") ) , "Set this Vector so that it has the minimum xyz components" ); } { //::SireMaths::MultiVector::setR typedef void ( ::SireMaths::MultiVector::*setR_function_type)( ::SireMaths::MultiDouble const & ) ; setR_function_type setR_function_value( &::SireMaths::MultiVector::setR ); MultiVector_exposer.def( "setR" , setR_function_value , ( bp::arg("val") ) , "Set individual values of the vector" ); } { //::SireMaths::MultiVector::setX typedef void ( ::SireMaths::MultiVector::*setX_function_type)( ::SireMaths::MultiDouble const & ) ; setX_function_type setX_function_value( &::SireMaths::MultiVector::setX ); MultiVector_exposer.def( "setX" , setX_function_value , ( bp::arg("val") ) , "Set individual values of the vector" ); } { //::SireMaths::MultiVector::setY typedef void ( ::SireMaths::MultiVector::*setY_function_type)( ::SireMaths::MultiDouble const & ) ; setY_function_type setY_function_value( &::SireMaths::MultiVector::setY ); MultiVector_exposer.def( "setY" , setY_function_value , ( bp::arg("val") ) , "Set individual values of the vector" ); } { //::SireMaths::MultiVector::setZ typedef void ( ::SireMaths::MultiVector::*setZ_function_type)( ::SireMaths::MultiDouble const & ) ; setZ_function_type setZ_function_value( &::SireMaths::MultiVector::setZ ); MultiVector_exposer.def( "setZ" , setZ_function_value , ( bp::arg("val") ) , "Set individual values of the vector" ); } { //::SireMaths::MultiVector::size typedef int ( *size_function_type )( ); size_function_type size_function_value( &::SireMaths::MultiVector::size ); MultiVector_exposer.def( "size" , size_function_value , "Return the number of vectors in this MultiVector" ); } { //::SireMaths::MultiVector::swap typedef void ( *swap_function_type )( ::SireMaths::MultiVector &,int,::SireMaths::MultiVector &,int ); swap_function_type swap_function_value( &::SireMaths::MultiVector::swap ); MultiVector_exposer.def( "swap" , swap_function_value , ( bp::arg("v0"), bp::arg("idx0"), bp::arg("v1"), bp::arg("idx1") ) , "Swap the values of the value at index idx0 in f0 with the value at index idx in f1" ); } { //::SireMaths::MultiVector::toString typedef ::QString ( ::SireMaths::MultiVector::*toString_function_type)( ) const; toString_function_type toString_function_value( &::SireMaths::MultiVector::toString ); MultiVector_exposer.def( "toString" , toString_function_value , "Return a QString representation of the vector" ); } { //::SireMaths::MultiVector::typeName typedef char const * ( *typeName_function_type )( ); typeName_function_type typeName_function_value( &::SireMaths::MultiVector::typeName ); MultiVector_exposer.def( "typeName" , typeName_function_value , "" ); } { //::SireMaths::MultiVector::what typedef char const * ( ::SireMaths::MultiVector::*what_function_type)( ) const; what_function_type what_function_value( &::SireMaths::MultiVector::what ); MultiVector_exposer.def( "what" , what_function_value , "" ); } { //::SireMaths::MultiVector::x typedef ::SireMaths::MultiDouble const & ( ::SireMaths::MultiVector::*x_function_type)( ) const; x_function_type x_function_value( &::SireMaths::MultiVector::x ); MultiVector_exposer.def( "x" , x_function_value , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMaths::MultiVector::y typedef ::SireMaths::MultiDouble const & ( ::SireMaths::MultiVector::*y_function_type)( ) const; y_function_type y_function_value( &::SireMaths::MultiVector::y ); MultiVector_exposer.def( "y" , y_function_value , bp::return_value_policy< bp::copy_const_reference >() , "" ); } { //::SireMaths::MultiVector::z typedef ::SireMaths::MultiDouble const & ( ::SireMaths::MultiVector::*z_function_type)( ) const; z_function_type z_function_value( &::SireMaths::MultiVector::z ); MultiVector_exposer.def( "z" , z_function_value , bp::return_value_policy< bp::copy_const_reference >() , "" ); } MultiVector_exposer.staticmethod( "angle" ); MultiVector_exposer.staticmethod( "count" ); MultiVector_exposer.staticmethod( "cross" ); MultiVector_exposer.staticmethod( "dihedral" ); MultiVector_exposer.staticmethod( "distance" ); MultiVector_exposer.staticmethod( "distance2" ); MultiVector_exposer.staticmethod( "dot" ); MultiVector_exposer.staticmethod( "fromArray" ); MultiVector_exposer.staticmethod( "generate" ); MultiVector_exposer.staticmethod( "invDistance" ); MultiVector_exposer.staticmethod( "invDistance2" ); MultiVector_exposer.staticmethod( "size" ); MultiVector_exposer.staticmethod( "swap" ); MultiVector_exposer.staticmethod( "typeName" ); MultiVector_exposer.def( bp::self * bp::other< SireMaths::MultiDouble >() ); MultiVector_exposer.def( bp::self * bp::other< SireMaths::MultiQuaternion >() ); MultiVector_exposer.def( bp::self + bp::self ); MultiVector_exposer.def( bp::self - bp::self ); MultiVector_exposer.def( bp::self / bp::other< SireMaths::MultiDouble >() ); MultiVector_exposer.def( "__copy__", &__copy__); MultiVector_exposer.def( "__deepcopy__", &__copy__); MultiVector_exposer.def( "clone", &__copy__); MultiVector_exposer.def( "__str__", &__str__< ::SireMaths::MultiVector > ); MultiVector_exposer.def( "__repr__", &__str__< ::SireMaths::MultiVector > ); MultiVector_exposer.def( "__len__", &__len_size< ::SireMaths::MultiVector > ); MultiVector_exposer.def( "__getitem__", &::SireMaths::MultiVector::getitem ); } }
void register_HMCVelGen_class(){ { //::SireMove::HMCVelGen typedef bp::class_< SireMove::HMCVelGen, bp::bases< SireMove::VelocityGenerator, SireBase::Property >, boost::noncopyable > HMCVelGen_exposer_t; HMCVelGen_exposer_t HMCVelGen_exposer = HMCVelGen_exposer_t( "HMCVelGen", bp::no_init ); bp::scope HMCVelGen_scope( HMCVelGen_exposer ); { //::SireMove::HMCVelGen::generate typedef double ( ::SireMove::HMCVelGen::*generate_function_type )( ::SireSystem::System const &,::SireMove::MolecularDynamics & ) ; generate_function_type generate_function_value( &::SireMove::HMCVelGen::generate ); HMCVelGen_exposer.def( "generate" , generate_function_value , ( bp::arg("system"), bp::arg("md") ) ); } { //::SireMove::HMCVelGen::getBias typedef double ( ::SireMove::HMCVelGen::*getBias_function_type )( ::SireMove::MolecularDynamics const & ) ; getBias_function_type getBias_function_value( &::SireMove::HMCVelGen::getBias ); HMCVelGen_exposer.def( "getBias" , getBias_function_value , ( bp::arg("md") ) ); } { //::SireMove::HMCVelGen::setGenerator typedef void ( ::SireMove::HMCVelGen::*setGenerator_function_type )( ::SireMaths::RanGenerator const & ) ; setGenerator_function_type setGenerator_function_value( &::SireMove::HMCVelGen::setGenerator ); HMCVelGen_exposer.def( "setGenerator" , setGenerator_function_value , ( bp::arg("generator") ) ); } { //::SireMove::HMCVelGen::setTemperature typedef void ( ::SireMove::HMCVelGen::*setTemperature_function_type )( ::SireUnits::Dimension::Temperature ) ; setTemperature_function_type setTemperature_function_value( &::SireMove::HMCVelGen::setTemperature ); HMCVelGen_exposer.def( "setTemperature" , setTemperature_function_value , ( bp::arg("temperature") ) ); } { //::SireMove::HMCVelGen::temperature typedef ::SireUnits::Dimension::Temperature ( ::SireMove::HMCVelGen::*temperature_function_type )( ) const; temperature_function_type temperature_function_value( &::SireMove::HMCVelGen::temperature ); HMCVelGen_exposer.def( "temperature" , temperature_function_value ); } HMCVelGen_exposer.def( "__rlshift__", &__rlshift__QDataStream< ::SireMove::HMCVelGen >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); HMCVelGen_exposer.def( "__rrshift__", &__rrshift__QDataStream< ::SireMove::HMCVelGen >, bp::return_internal_reference<1, bp::with_custodian_and_ward<1,2> >() ); HMCVelGen_exposer.def( "__str__", &__str__< ::SireMove::HMCVelGen > ); HMCVelGen_exposer.def( "__repr__", &__str__< ::SireMove::HMCVelGen > ); } }