Python itertools.combinations_with_replacement方法代码示例

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def test_same_grid_and_move(fp, env):
    ofp = fp
    if env < ofp._significant_min + 1:
        pytest.skip()

    for factx, facty in itertools.combinations_with_replacement([-1, 0, +1], 2):
        tl = ofp.tl % ofp.pxsize + 1e9 // ofp.pxsize * ofp.pxsize * [factx, facty]
        fp = ofp.move(tl)
        if env < fp._significant_min:
            continue
        eps = np.abs(np.r_[fp.coords, ofp.coords]).max() * 10 ** -buzz.env.significant

        for factx, facty in itertools.combinations_with_replacement([-1, 0, +1], 2):
            fact = np.asarray([factx, facty])

            fp = ofp.move(tl + eps * LESS_ERROR * fact)
            assert ofp.same_grid(fp)

            if (fact != 0).any():
                fp = ofp.move(tl + eps * MORE_ERROR * fact)
                assert not ofp.same_grid(fp) 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def _generate_names(cls, name):
        """Generates a series of temporary names.

        The algorithm replaces the leading characters in the name
        with ones that are valid filesystem characters, but are not
        valid package names (for both Python and pip definitions of
        package).
        """
        for i in range(1, len(name)):
            for candidate in itertools.combinations_with_replacement(
                    cls.LEADING_CHARS, i - 1):
                new_name = '~' + ''.join(candidate) + name[i:]
                if new_name != name:
                    yield new_name

        # If we make it this far, we will have to make a longer name
        for i in range(len(cls.LEADING_CHARS)):
            for candidate in itertools.combinations_with_replacement(
                    cls.LEADING_CHARS, i):
                new_name = '~' + ''.join(candidate) + name
                if new_name != name:
                    yield new_name 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def __init__(self, structure, limit=10):
        elements = structure.comp.keys()
        pairs = itertools.combinations_with_replacement(elements, r=2)
        self.pairs = [ self.get_pair(pair) for pair in pairs ]
        self.distances = dict((p, []) for p in self.pairs)
        self.weights = dict((p, []) for p in self.pairs)

        structure = structure.copy()
        # `get_symmetry_dataset` cannot handle the reduced output?
        structure.reduce()
        structure.symmetrize()
        self.structure = structure
        self.cell = self.structure.cell
        self.uniq = self.structure.uniq_sites
        self.sites = self.structure.sites
        self.limit = limit
        self.limit2 = limit**2
        lp = structure.find_lattice_points_within_distance(limit)
        self.lattice_points = np.array([ np.dot(p, self.cell) for p in lp ]) 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def _generate_names(cls, name):
        # type: (str) -> Iterator[str]
        """Generates a series of temporary names.

        The algorithm replaces the leading characters in the name
        with ones that are valid filesystem characters, but are not
        valid package names (for both Python and pip definitions of
        package).
        """
        for i in range(1, len(name)):
            for candidate in itertools.combinations_with_replacement(
                    cls.LEADING_CHARS, i - 1):
                new_name = '~' + ''.join(candidate) + name[i:]
                if new_name != name:
                    yield new_name

        # If we make it this far, we will have to make a longer name
        for i in range(len(cls.LEADING_CHARS)):
            for candidate in itertools.combinations_with_replacement(
                    cls.LEADING_CHARS, i):
                new_name = '~' + ''.join(candidate) + name
                if new_name != name:
                    yield new_name 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def test_combinations_with_replacement():
    yield (verify_same, combinations_with_replacement,
           itertools.combinations_with_replacement,
           None, _identity)
    yield (verify_same, combinations_with_replacement,
           itertools.combinations_with_replacement,
           None, _identity, [])
    yield (verify_same, combinations_with_replacement,
           itertools.combinations_with_replacement,
           None)
    yield (verify_same, combinations_with_replacement,
           itertools.combinations_with_replacement,
           None, [5, 4, 3, 2, 1], 2)
    yield (verify_pickle, combinations_with_replacement,
           itertools.combinations_with_replacement,
           15, 3, [5, 4, 3, 2, 1], 2)
    yield (verify_pickle, combinations_with_replacement,
           itertools.combinations_with_replacement,
           15, 0, [5, 4, 3, 2, 1], 2) 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def _get_subsample_counts(configs, n):
    subconfigs, weights = [], []
    for pop_comb in it.combinations_with_replacement(configs.sampled_pops, n):
        subsample_n = co.Counter(pop_comb)
        subsample_n = np.array([subsample_n[pop]
                                for pop in configs.sampled_pops], dtype=int)
        if np.any(subsample_n > configs.sampled_n):
            continue

        for sfs_entry in it.product(*(range(sub_n + 1)
                                      for sub_n in subsample_n)):
            sfs_entry = np.array(sfs_entry, dtype=int)
            if np.all(sfs_entry == 0) or np.all(sfs_entry == subsample_n):
                # monomorphic
                continue

            sfs_entry = np.transpose([subsample_n - sfs_entry, sfs_entry])
            cnt_vec = configs.subsample_probs(sfs_entry)
            if not np.all(cnt_vec == 0):
                subconfigs.append(sfs_entry)
                weights.append(cnt_vec)

    return np.array(subconfigs), np.array(weights) 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def X(self, i, j=slice(None, None, None)):
        '''
        Computes the design matrix at the given *PLD* order and the given
        indices. The columns are the *PLD* vectors for the target at the
        corresponding order, computed as the product of the fractional pixel
        flux of all sets of :py:obj:`n` pixels, where :py:obj:`n` is the *PLD*
        order.

        '''

        X1 = self.fpix[j] / self.norm[j].reshape(-1, 1)
        X = np.product(list(multichoose(X1.T, i + 1)), axis=1).T
        if self.X1N is not None:
            return np.hstack([X, self.X1N[j] ** (i + 1)])
        else:
            return X 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def __call__(self, hwr_obj):
        super(self.__class__, self).__call__(hwr_obj)

        pointlist = hwr_obj.get_pointlist()
        polygonal_chains = []

        # Make sure the dimension is correct
        for i in range(self.strokes):
            if i < len(pointlist):
                polygonal_chains.append(geometry.PolygonalChain(pointlist[i]))
            else:
                polygonal_chains.append(geometry.PolygonalChain([]))

        x = []
        for chainA, chainB in combinations_wr(polygonal_chains, 2):
            if chainA == chainB:
                x.append(chainA.count_selfintersections())
            else:
                x.append(chainA.count_intersections(chainB))

        assert self.get_dimension() == len(x), (
            "Dimension of %s should be %i, but was %i"
            % (str(self), self.get_dimension(), len(x))
        )
        return x 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def all_distances(self):

        if self._all_distances is None:
            ret = {}
            if not self.structure.is_periodic:
                dist_matrix = self.structure.distance_matrix()
            for i, j in itertools.combinations_with_replacement(range(self.structure.natom), 2):
                pair = (i, j)
                if self.structure.is_periodic:
                    ret[pair] = self.structure.lattice.distances_in_sphere(self.structure.reduced[i],
                                                                           self.structure.reduced[j],
                                                                           radius=self.radius)
                else:
                    ret[pair] = dist_matrix[i, j]

            self._all_distances = ret

        return self._all_distances 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def all_distances_by_species(self):

        all_distances = self.all_distances()
        ret = OrderedDict()

        atom_numbers = atomic_number(self.structure.species)
        a = list(itertools.combinations_with_replacement(atom_numbers, 2))
        keys = sorted([tuple(sorted(list(x))) for x in a])
        for key in keys:
            ret[key] = []

        for ipair in all_distances:
            key = tuple(sorted(atomic_number([self.structure.symbols[ipair[0]], self.structure.symbols[ipair[1]]])))
            if self.structure.is_periodic:
                ret[key] = np.concatenate((ret[key], all_distances[ipair]['distance']))
            else:
                ret[key].append(all_distances[ipair])

        # Sorting arrays
        for key in ret:
            ret[key].sort()
            ret[key] = np.array(ret[key])

        return ret 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def compute_correlations(temp_comp, along, across):
    segments = temp_comp.attrs['segments']
    corr_list = []
    for cur_anm in temp_comp['animal'].values:
        for comb in itt.combinations_with_replacement(segments, 2):
            dat_A = temp_comp.sel(animal=cur_anm, session_id=comb[0][0])
            dat_A = dat_A.where(
                dat_A['segment_id'] == comb[0][1],
                drop=True).to_array().drop('segment_id').squeeze(
                    'variable', drop=True)
            dat_B = temp_comp.sel(animal=cur_anm, session_id=comb[1][0])
            dat_B = dat_B.where(
                dat_B['segment_id'] == comb[1][1],
                drop=True).to_array().drop('segment_id').squeeze(
                    'variable', drop=True)
            if dat_A.size > 0 and dat_B.size > 0:
                print("computing correlation of {} with {} for animal {}".
                      format(comb[0], comb[1], cur_anm))
                cur_corr = corr2_coeff_xr(dat_A, dat_B, along, across)
                cur_corr.coords['session_id_A'] = comb[0][0]
                cur_corr.coords['session_id_B'] = comb[1][0]
                cur_corr.coords['segment_id_A'] = comb[0][1]
                cur_corr.coords['segment_id_B'] = comb[1][1]
    print("merging")
    return xr.merge(corr_list) 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def get_combination_wise_output_matrix(y, order):
    """Returns label combinations of a given order that are assigned to each row

    Parameters:
    -----------
    y : output matrix or array of arrays (n_samples, n_labels)
        the binary-indicator label assignment per sample representation of the output space

    order : int, >= 1
        the order of label relationship to take into account when balancing sample distribution across labels

    Returns
    -------
    combinations_per_row : List[Set[Tuple[int]]]
        list of combination assignments per row
    """
    return np.array([set(tuple(combination) for combination in
                         it.combinations_with_replacement(get_indicator_representation(row), order)) for row in y]) 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def _get_order(self, i):
    '''Returns indices to transform libcint order to orbkit order for given shell.'''
    l = self.basis.bas[i][1]
    if l == 0:
      return (0,)
    if self.cartesian:
      order_orbkit = self.qc.ao_spec.get_lxlylz()[self.qc.ao_spec.get_assign_lxlylz_to_cont()==i,:]
      order_libcint = []
      for item in combinations_with_replacement('xyz', l):
        order_libcint.append([item.count('x'), item.count('y'), item.count('z')])
      order_libcint = numpy.array(order_libcint)
    else:
      order_orbkit = numpy.array(self.qc.ao_spec.get_lm())[self.qc.ao_spec.get_assign_lm_to_cont()==i,1]
      if l == 1:
        order_libcint = numpy.array([1,-1,0])
      else:
        order_libcint = numpy.array(range(-l,l+1))
    return match_order(order_libcint, order_orbkit) 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def generate_permutation_keys():
    """
    This function returns a set of "keys" that represent the 48 unique rotations &
    reflections of a 3D matrix.

    Each item of the set is a tuple:
    ((rotate_y, rotate_z), flip_x, flip_y, flip_z, transpose)

    As an example, ((0, 1), 0, 1, 0, 1) represents a permutation in which the data is
    rotated 90 degrees around the z-axis, then reversed on the y-axis, and then
    transposed.

    48 unique rotations & reflections:
    https://en.wikipedia.org/wiki/Octahedral_symmetry#The_isometries_of_the_cube
    """
    return set(itertools.product(
        itertools.combinations_with_replacement(range(2), 2), range(2), range(2), range(2), range(2))) 

# 需要导入模块: import itertools [as 别名]
# 或者: from itertools import combinations_with_replacement [as 别名]
def van_der_waals_pairs(self):
        atom_types = self.unique_atom_types.keys()
        for type1, type2 in itertools.combinations_with_replacement(atom_types, 2):
            atm1 = self.unique_atom_types[type1]
            atm2 = self.unique_atom_types[type2]

            print(str(re.findall(r'^[a-zA-Z]*',atm1.force_field_type)[0]))
            print(str(re.findall(r'^[a-zA-Z]*',atm2.force_field_type)[0]))

            # if we are using non-UFF atom types, need to splice off the end descriptors (first non alphabetic char)
            eps1 = UFF_DATA_nonbonded[re.findall(r'^[a-zA-Z]*',atm1.force_field_type)[0]][3]
            eps2 = UFF_DATA_nonbonded[re.findall(r'^[a-zA-Z]*',atm2.force_field_type)[0]][3]

            # radius --> sigma = radius*2**(-1/6)
            sig1 = UFF_DATA_nonbonded[re.findall(r'^[a-zA-Z]*',atm1.force_field_type)[0]][2]*(2**(-1./6.))
            sig2 = UFF_DATA_nonbonded[re.findall(r'^[a-zA-Z]*',atm2.force_field_type)[0]][2]*(2**(-1./6.))

            # l-b mixing
            eps = math.sqrt(eps1*eps2)
            sig = (sig1 + sig2) / 2.
            self.unique_pair_types[(type1, type2)] = (eps, sig)