Distopia
- distopia.calc_bonds_idx_no_box_double(double[:, ::1] coords, size_t[::1] idx, ndarray results=None) ndarray
Calculate distances between pairs of coordinates by index
- Parameters:
coords (float64 array) – array of coordinates
idx (int array) – array of integers to calculate distances for
results (float64 array (optional)) – array to store results in, must be half the size of idx
- Returns:
distances – half the size of idx
- Return type:
float64 array
- distopia.calc_bonds_idx_no_box_float(float[:, ::1] coords, size_t[::1] idx, ndarray results=None) ndarray
Calculate distances between pairs of coordinates by index
- Parameters:
coords (float32 array) – array of coordinates
idx (int array) – array of integers to calculate distances for
results (float32 array (optional)) – array to store results in, must be half the size of idx
- Returns:
distances – half the size of idx
- Return type:
float32 array
- distopia.calc_bonds_idx_ortho_double(double[:, ::1] coords, size_t[::1] idx, double[::1] box, ndarray results=None) ndarray
Calculate distances between pairs of coordinates by index
- Parameters:
coords (float64 array) – array of coordinates
idx (int array) – array of integers to calculate distances for
box (float64 array) – periodic boundary dimensions
results (float64 array (optional)) – array to store results in, must be half the size of idx
- Returns:
distances – half the size of idx
- Return type:
float64 array
- distopia.calc_bonds_idx_ortho_float(float[:, ::1] coords, size_t[::1] idx, float[::1] box, ndarray results=None) ndarray
Calculate distances between pairs of coordinates by index
- Parameters:
coords (float32 array) – array of coordinates
idx (int array) – array of integers to calculate distances for
box (float32 array) – periodic boundary dimensions
results (float32 array (optional)) – array to store results in, must be half the size of idx
- Returns:
distances – half the size of idx
- Return type:
float32 array
- distopia.calc_bonds_no_box_double(double[:, ::1] coords0, double[:, ::1] coords1, ndarray results=None) ndarray
Calculate pairwise distances between coords0 and coords1
- Parameters:
coords0 (float64 array) – must be same length
coords1 (float64 array) – must be same length
box (float64 array) – periodic boundary dimensions
results (float64 array (optional)) – array to store results in, must be same size as coords0/coords1
- Returns:
distances – same size as coords0/coords1
- Return type:
float64 array
- distopia.calc_bonds_no_box_float(float[:, ::1] coords0, float[:, ::1] coords1, ndarray results=None) ndarray
Calculate pairwise distances between coords0 and coords1
- Parameters:
coords0 (float32 array) – must be same length
coords1 (float32 array) – must be same length
results (float32 array (optional)) – array to store results in, must be same size as coords0/coords1
- Returns:
distances – same size as coords0/coords1
- Return type:
float32 array
- distopia.calc_bonds_ortho_double(double[:, ::1] coords0, double[:, ::1] coords1, double[::1] box, ndarray results=None) ndarray
Calculate pairwise distances between coords0 and coords1
- Parameters:
coords0 (float64 array) – must be same length
coords1 (float64 array) – must be same length
box (float64 array) – periodic boundary dimensions
results (float64 array (optional)) – array to store results in, must be same size as coords0/coords1
- Returns:
distances – same size as coords0/coords1
- Return type:
float64 array
- distopia.calc_bonds_ortho_float(float[:, ::1] coords0, float[:, ::1] coords1, float[::1] box, ndarray results=None) ndarray
Calculate pairwise distances between coords0 and coords1
- Parameters:
coords0 (float32 array) – must be same length
coords1 (float32 array) – must be same length
box (float32 array) – periodic boundary dimensions
results (float32 array (optional)) – array to store results in, must be same size as coords0/coords1
- Returns:
distances – same size as coords0/coords1
- Return type:
float32 array