# Copyright 2016 Autodesk Inc.
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
from copy import deepcopy
from moldesign.units import *
[docs]def grid_map(f,v,dims,grids):
"""
Map function values along a grid
:param f: function to be evaluated, call signature f(v)
:param v: vector that sets the static coordinates
:param dims: ndims-length list of dimensions to vary
:param grids: ndims-length list of grid values for each dimension
:return: function value grid
"""
vmod = deepcopy(v)
for idx, vals in enumerate(zip(*[g.flat for g in grids])):
for idim, val in zip(dims, vals): vmod[idim] = val
if idx == 0:
firstf = f(vmod)
gridZ = np.zeros(grids[0].shape) * firstf
gridZ.flat[0] = firstf
else:
gridZ.flat[idx] = f(vmod)
return gridZ
[docs]def function_slice(f,v,dims,ranges):
"""
Return an arbitrary dimensional slice of function values
:param f: function to be evaluated, call signature f(v)
:param v: vector that sets the static coordinates
:param dims: ndims-length list of dimensions to vary
:param ranges: ndims-list of values along those dimensions
:return: gridpoints, function values
"""
assert len(dims)==len(ranges)
if len(ranges)>1:
grids = np.meshgrid(*ranges)
else:
grids=list(ranges)
for igrid,(r,g) in enumerate(zip(ranges,grids)):
grids[igrid] = units_transfer(r,g)
gridZ = grid_map(f,v,dims,grids)
return grids,gridZ