grid

Bindings for core::grid namespace

class pyrosetta.rosetta.core.grid.CartGrid_double_t

Bases: pybind11_object

assign(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, other: pyrosetta.rosetta.core.grid.CartGrid_double_t) → pyrosetta.rosetta.core.grid.CartGrid_double_t

C++: core::grid::CartGrid<double>::operator=(const class core::grid::CartGrid<double> &) –> class core::grid::CartGrid<double> &

clone(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, copy: pyrosetta.rosetta.core.grid.CartGrid_double_t) → None

C++: core::grid::CartGrid<double>::clone(class core::grid::CartGrid<double> &) const –> void

coords(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, gridpt: pyrosetta.rosetta.numeric.xyzVector_int_t) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::grid::CartGrid<double>::coords(const class numeric::xyzVector<int> &) const –> class numeric::xyzVector<double>

deserialize(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, grid_data: pyrosetta.rosetta.std.map_std_string_utility_json_spirit_Value_impl_utility_json_spirit_Config_map_std_string_t_std_allocator_std_pair_const_std_string_utility_json_spirit_Value_impl_utility_json_spirit_Config_map_std_string_t) → None

C++: core::grid::CartGrid<double>::deserialize(class std::map<std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > >, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > > > > >) –> void

equalBase(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, rhs: pyrosetta.rosetta.core.grid.CartGrid_double_t) → bool

C++: core::grid::CartGrid<double>::equalBase(const class core::grid::CartGrid<double> &) const –> bool

equalDimensions(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, rhs: pyrosetta.rosetta.core.grid.CartGrid_double_t) → bool

C++: core::grid::CartGrid<double>::equalDimensions(const class core::grid::CartGrid<double> &) const –> bool

expand(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, expansion: int) → None

C++: core::grid::CartGrid<double>::expand(int) –> void

getBase(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::grid::CartGrid<double>::getBase() const –> class numeric::xyzVector<double>

getMaxValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → float

C++: core::grid::CartGrid<double>::getMaxValue() const –> double

getMinValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → float

C++: core::grid::CartGrid<double>::getMinValue() const –> double

getNumberOfPoints(*args, **kwargs)

Overloaded function.

1. getNumberOfPoints(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, x: int, y: int, z: int) -> None

C++: core::grid::CartGrid<double>::getNumberOfPoints(unsigned long &, unsigned long &, unsigned long &) const –> void

2. getNumberOfPoints(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::grid::CartGrid<double>::getNumberOfPoints() const –> class numeric::xyzVector<double>

getTop(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::grid::CartGrid<double>::getTop() const –> class numeric::xyzVector<double>

getValue(*args, **kwargs)

Overloaded function.

1. getValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, ix: int, iy: int, iz: int) -> float

C++: core::grid::CartGrid<double>::getValue(unsigned long, unsigned long, unsigned long) const –> double

2. getValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, fx: float, fy: float, fz: float) -> float

C++: core::grid::CartGrid<double>::getValue(double, double, double) const –> double

3. getValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, gridpt: pyrosetta.rosetta.numeric.xyzVector_int_t) -> float

C++: core::grid::CartGrid<double>::getValue(const class numeric::xyzVector<int> &) const –> double

4. getValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, coords: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: core::grid::CartGrid<double>::getValue(const class numeric::xyzVector<double> &) const –> double

get_name(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → str

C++: core::grid::CartGrid<double>::get_name() const –> std::string

gridpt(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, coords: pyrosetta.rosetta.numeric.xyzVector_double_t) → pyrosetta.rosetta.numeric.xyzVector_int_t

C++: core::grid::CartGrid<double>::gridpt(const class numeric::xyzVector<double> &) const –> class numeric::xyzVector<int>

isEmpty(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → bool

C++: core::grid::CartGrid<double>::isEmpty() const –> bool

isFullyOccupied(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → bool

C++: core::grid::CartGrid<double>::isFullyOccupied() const –> bool

is_in_grid(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, x: float, y: float, z: float) → bool

C++: core::grid::CartGrid<double>::is_in_grid(double, double, double) const –> bool

longestSide(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → int

C++: core::grid::CartGrid<double>::longestSide() const –> unsigned long

read(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, filename: str) → None

C++: core::grid::CartGrid<double>::read(const std::string &) –> void

reset_boundaries(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → None

C++: core::grid::CartGrid<double>::reset_boundaries() –> void

serialize(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → pyrosetta.rosetta.utility.json_spirit.Value_impl_utility_json_spirit_Config_vector_std_string_t

C++: core::grid::CartGrid<double>::serialize() const –> class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_vector<std::string > >

setBase(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, x: float, y: float, z: float) → None

C++: core::grid::CartGrid<double>::setBase(double, double, double) –> void

setDimensions(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, nX: int, nY: int, nZ: int, lX: float, lY: float, lZ: float) → None

C++: core::grid::CartGrid<double>::setDimensions(unsigned long, unsigned long, unsigned long, double, double, double) –> void

setFullOccupied(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, value: float) → None

C++: core::grid::CartGrid<double>::setFullOccupied(double) –> void

setValue(*args, **kwargs)

Overloaded function.

1. setValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, ix: int, iy: int, iz: int, value: float) -> None

C++: core::grid::CartGrid<double>::setValue(unsigned long, unsigned long, unsigned long, double) –> void

2. setValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, fx: float, fy: float, fz: float, value: float) -> None

C++: core::grid::CartGrid<double>::setValue(double, double, double, double) –> void

3. setValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, gridpt: pyrosetta.rosetta.numeric.xyzVector_int_t, value: float) -> None

C++: core::grid::CartGrid<double>::setValue(const class numeric::xyzVector<int> &, double) –> void

4. setValue(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, coords: pyrosetta.rosetta.numeric.xyzVector_double_t, value: float) -> None

C++: core::grid::CartGrid<double>::setValue(const class numeric::xyzVector<double> &, double) –> void

set_name(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, name: str) → None

C++: core::grid::CartGrid<double>::set_name(const std::string &) –> void

setupZones(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → bool

C++: core::grid::CartGrid<double>::setupZones() –> bool

translate(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, x: float, y: float, z: float) → None

C++: core::grid::CartGrid<double>::translate(double, double, double) –> void

write(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, filename: str) → None

C++: core::grid::CartGrid<double>::write(const std::string &) const –> void

write_to_BRIX(*args, **kwargs)

Overloaded function.

1. write_to_BRIX(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, filename: str) -> None

C++: core::grid::CartGrid<double>::write_to_BRIX(const std::string &) const –> void

2. write_to_BRIX(self: pyrosetta.rosetta.core.grid.CartGrid_double_t, out: pyrosetta.rosetta.std.ostream) -> None

C++: core::grid::CartGrid<double>::write_to_BRIX(std::ostream &) const –> void

zero(self: pyrosetta.rosetta.core.grid.CartGrid_double_t) → None

C++: core::grid::CartGrid<double>::zero() –> void

class pyrosetta.rosetta.core.grid.CartGrid_int_t

Bases: pybind11_object

assign(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, other: pyrosetta.rosetta.core.grid.CartGrid_int_t) → pyrosetta.rosetta.core.grid.CartGrid_int_t

C++: core::grid::CartGrid<int>::operator=(const class core::grid::CartGrid<int> &) –> class core::grid::CartGrid<int> &

clone(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, copy: pyrosetta.rosetta.core.grid.CartGrid_int_t) → None

C++: core::grid::CartGrid<int>::clone(class core::grid::CartGrid<int> &) const –> void

coords(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, gridpt: pyrosetta.rosetta.numeric.xyzVector_int_t) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::grid::CartGrid<int>::coords(const class numeric::xyzVector<int> &) const –> class numeric::xyzVector<double>

deserialize(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, grid_data: pyrosetta.rosetta.std.map_std_string_utility_json_spirit_Value_impl_utility_json_spirit_Config_map_std_string_t_std_allocator_std_pair_const_std_string_utility_json_spirit_Value_impl_utility_json_spirit_Config_map_std_string_t) → None

C++: core::grid::CartGrid<int>::deserialize(class std::map<std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > >, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_map<std::string > > > > >) –> void

equalBase(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, rhs: pyrosetta.rosetta.core.grid.CartGrid_int_t) → bool

C++: core::grid::CartGrid<int>::equalBase(const class core::grid::CartGrid<int> &) const –> bool

equalDimensions(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, rhs: pyrosetta.rosetta.core.grid.CartGrid_int_t) → bool

C++: core::grid::CartGrid<int>::equalDimensions(const class core::grid::CartGrid<int> &) const –> bool

expand(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, expansion: int) → None

C++: core::grid::CartGrid<int>::expand(int) –> void

getBase(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::grid::CartGrid<int>::getBase() const –> class numeric::xyzVector<double>

getMaxValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → int

C++: core::grid::CartGrid<int>::getMaxValue() const –> int

getMinValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → int

C++: core::grid::CartGrid<int>::getMinValue() const –> int

getNumberOfPoints(*args, **kwargs)

Overloaded function.

1. getNumberOfPoints(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, x: int, y: int, z: int) -> None

C++: core::grid::CartGrid<int>::getNumberOfPoints(unsigned long &, unsigned long &, unsigned long &) const –> void

2. getNumberOfPoints(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) -> pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::grid::CartGrid<int>::getNumberOfPoints() const –> class numeric::xyzVector<double>

getTop(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::grid::CartGrid<int>::getTop() const –> class numeric::xyzVector<double>

getValue(*args, **kwargs)

Overloaded function.

1. getValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, ix: int, iy: int, iz: int) -> int

C++: core::grid::CartGrid<int>::getValue(unsigned long, unsigned long, unsigned long) const –> int

2. getValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, fx: float, fy: float, fz: float) -> int

C++: core::grid::CartGrid<int>::getValue(double, double, double) const –> int

3. getValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, gridpt: pyrosetta.rosetta.numeric.xyzVector_int_t) -> int

C++: core::grid::CartGrid<int>::getValue(const class numeric::xyzVector<int> &) const –> int

4. getValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, coords: pyrosetta.rosetta.numeric.xyzVector_double_t) -> int

C++: core::grid::CartGrid<int>::getValue(const class numeric::xyzVector<double> &) const –> int

get_name(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → str

C++: core::grid::CartGrid<int>::get_name() const –> std::string

gridpt(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, coords: pyrosetta.rosetta.numeric.xyzVector_double_t) → pyrosetta.rosetta.numeric.xyzVector_int_t

C++: core::grid::CartGrid<int>::gridpt(const class numeric::xyzVector<double> &) const –> class numeric::xyzVector<int>

isEmpty(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → bool

C++: core::grid::CartGrid<int>::isEmpty() const –> bool

isFullyOccupied(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → bool

C++: core::grid::CartGrid<int>::isFullyOccupied() const –> bool

is_in_grid(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, x: float, y: float, z: float) → bool

C++: core::grid::CartGrid<int>::is_in_grid(double, double, double) const –> bool

longestSide(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → int

C++: core::grid::CartGrid<int>::longestSide() const –> unsigned long

read(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, filename: str) → None

C++: core::grid::CartGrid<int>::read(const std::string &) –> void

reset_boundaries(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → None

C++: core::grid::CartGrid<int>::reset_boundaries() –> void

serialize(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → pyrosetta.rosetta.utility.json_spirit.Value_impl_utility_json_spirit_Config_vector_std_string_t

C++: core::grid::CartGrid<int>::serialize() const –> class utility::json_spirit::Value_impl<struct utility::json_spirit::Config_vector<std::string > >

setBase(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, x: float, y: float, z: float) → None

C++: core::grid::CartGrid<int>::setBase(double, double, double) –> void

setDimensions(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, nX: int, nY: int, nZ: int, lX: float, lY: float, lZ: float) → None

C++: core::grid::CartGrid<int>::setDimensions(unsigned long, unsigned long, unsigned long, double, double, double) –> void

setFullOccupied(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, value: int) → None

C++: core::grid::CartGrid<int>::setFullOccupied(int) –> void

setValue(*args, **kwargs)

Overloaded function.

1. setValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, ix: int, iy: int, iz: int, value: int) -> None

C++: core::grid::CartGrid<int>::setValue(unsigned long, unsigned long, unsigned long, int) –> void

2. setValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, fx: float, fy: float, fz: float, value: int) -> None

C++: core::grid::CartGrid<int>::setValue(double, double, double, int) –> void

3. setValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, gridpt: pyrosetta.rosetta.numeric.xyzVector_int_t, value: int) -> None

C++: core::grid::CartGrid<int>::setValue(const class numeric::xyzVector<int> &, int) –> void

4. setValue(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, coords: pyrosetta.rosetta.numeric.xyzVector_double_t, value: int) -> None

C++: core::grid::CartGrid<int>::setValue(const class numeric::xyzVector<double> &, int) –> void

set_name(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, name: str) → None

C++: core::grid::CartGrid<int>::set_name(const std::string &) –> void

setupZones(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → bool

C++: core::grid::CartGrid<int>::setupZones() –> bool

translate(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, x: float, y: float, z: float) → None

C++: core::grid::CartGrid<int>::translate(double, double, double) –> void

write(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, filename: str) → None

C++: core::grid::CartGrid<int>::write(const std::string &) const –> void

write_to_BRIX(*args, **kwargs)

Overloaded function.

1. write_to_BRIX(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, filename: str) -> None

C++: core::grid::CartGrid<int>::write_to_BRIX(const std::string &) const –> void

2. write_to_BRIX(self: pyrosetta.rosetta.core.grid.CartGrid_int_t, out: pyrosetta.rosetta.std.ostream) -> None

C++: core::grid::CartGrid<int>::write_to_BRIX(std::ostream &) const –> void

zero(self: pyrosetta.rosetta.core.grid.CartGrid_int_t) → None

C++: core::grid::CartGrid<int>::zero() –> void