Пример #1
0
    def test_1(self):
        a = np.arange(10)
        n = a.shape[0]

        res = np.zeros((n * (n-1) // 2, 2), dtype=np.int)
        cgmath.intra_index_array(a, res)

        ref = self._manual(a)

        assert_array_almost_equal(ref, res)
Пример #2
0
    def test_1(self):
        a = np.arange(10)
        n = a.shape[0]

        res = np.zeros((n * (n-1) // 2, 2), dtype=np.int)
        cgmath.intra_index_array(a, res)

        ref = self._manual(a)

        assert_array_almost_equal(ref, res)
Пример #3
0
def cellgrid_self_distance_array(cg1):
    """Calculate all pairwise distances within a certain CellGrid

    :Returns:
     indices, distances

    indices - (n, 2)
    distances (n)
    """
    box = cg1.box

    Nreq = _calculate_self_distance_array_size(cg1)
    indices = np.empty((Nreq, 2), dtype=np.int)
    dist = np.empty(Nreq, dtype=np.float32)

    pos = 0
    for cell in cg1:
        n = len(cell)
        if n > 1:
            # Do own cell as a self distance comparison
            cgmath.intra_distance_array_withpbc(
                cell.coordinates,
                box,
                dist[pos:]
            )
            cgmath.intra_index_array(
                cell.indices,
                indices[pos:]
            )
            pos += n * (n - 1) // 2
        # Then all half neighbours as a full comparison
        for addr in cell.half_neighbours:
            other = cg1[addr]
            if not other:
                continue
            cgmath.inter_distance_array_withpbc(
                cell.coordinates,
                other.coordinates,
                box,
                dist[pos:]
            )
            cgmath.inter_index_array(
                cell.indices,
                other.indices,
                indices[pos:]
            )
            pos += n * len(other)

    return indices, dist
Пример #4
0
def cellgrid_self_distance_array(cg1):
    """Calculate all pairwise distances within a certain CellGrid

    :Returns:
     indices, distances

    indices - (n, 2)
    distances (n)
    """
    box = cg1.box

    Nreq = _calculate_self_distance_array_size(cg1)
    indices = np.empty((Nreq, 2), dtype=np.int)
    dist = np.empty(Nreq, dtype=cg1.datatype)

    pos = 0
    for cell in cg1:
        n = len(cell)
        if n > 1:
            # Do own cell as a self distance comparison
            cgmath.intra_distance_array_withpbc(cell.coordinates, box,
                                                dist[pos:])
            cgmath.intra_index_array(cell.indices, indices[pos:])
            pos += n * (n - 1) // 2
        # Then all half neighbours as a full comparison
        for addr in cell.half_neighbours:
            other = cg1[addr]
            if not other:
                continue
            cgmath.inter_distance_array_withpbc(cell.coordinates,
                                                other.coordinates, box,
                                                dist[pos:])
            cgmath.inter_index_array(cell.indices, other.indices,
                                     indices[pos:])
            pos += n * len(other)

    return indices, dist