/*
* Copyright 2009-2019 The VOTCA Development Team (http://www.votca.org)
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
*
* 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.
*
*/
#define BOOST_TEST_MAIN
#define BOOST_TEST_MODULE aomatrix_test
#include "votca/xtp/orbitals.h"
#include <boost/test/unit_test.hpp>
#include <fstream>
#include <votca/xtp/sphere_lebedev_rule.h>
using namespace votca::xtp;
using namespace votca;
BOOST_AUTO_TEST_SUITE(sphere_lebedev_rule_test)
Eigen::VectorXd ReadVectorFromString(const std::string& matrix) {
votca::tools::Tokenizer lines(matrix, "\n");
std::vector<double> entries;
for (auto line : lines) {
if (line[0] == '#') {
continue;
}
votca::tools::Tokenizer entries_tok(line, ", ");
std::vector<std::string> temp = entries_tok.ToVector();
for (const auto& s : temp) {
entries.push_back(std::stod(s));
}
}
return Eigen::Map<Eigen::VectorXd>(entries.data(), entries.size());
}
BOOST_AUTO_TEST_CASE(fine_test) {
std::ofstream xyzfile("molecule.xyz");
xyzfile << " 5" << std::endl;
xyzfile << " methane" << std::endl;
xyzfile << " Ge .000000 .000000 .000000" << std::endl;
xyzfile << " H .629118 .629118 .629118" << std::endl;
xyzfile << " H -.629118 -.629118 .629118" << std::endl;
xyzfile << " H .629118 -.629118 -.629118" << std::endl;
xyzfile << " H -.629118 .629118 -.629118" << std::endl;
xyzfile.close();
QMMolecule mol("noname", 0);
mol.LoadFromFile("molecule.xyz");
LebedevGrid spheregrid;
auto grid = spheregrid.CalculateSphericalGrids(mol, "fine");
auto Hgrid = grid.at("H");
auto Gegrid = grid.at("Ge");
std::string Ge_phi_ref_string =
"1.5708,1.5708,1.5708,1.5708,0,3.14159,0.955317,0.955317,"
"0.955317,0.955317,2.18628,2.18628,2.18628,2.18628,0.060749,"
"0.060749,0.060749,0.060749,3.08084,3.08084,3.08084,3.08084,1.52785,"
"1.52785,1.52785,1.52785,1.61374,1.61374,1.61374,1.61374,1.52785,"
"1.52785,1.52785,1.52785,1.61374,1.61374,1.61374,1.61374,0.149248,"
"0.149248,0.149248,0.149248,2.99234,2.99234,2.99234,2.99234,1.46546,"
"1.46546,1.46546,1.46546,1.67613,1.67613,1.67613,1.67613,1.46546,"
"1.46546,1.46546,1.46546,1.67613,1.67613,1.67613,1.67613,0.25009,"
"0.25009,0.25009,0.25009,2.8915,2.8915,2.8915,2.8915,1.39489,"
"1.39489,1.39489,1.39489,1.7467,1.7467,1.7467,1.7467,1.39489,"
"1.39489,1.39489,1.39489,1.7467,1.7467,1.7467,1.7467,0.357991,"
"0.357991,0.357991,0.357991,2.7836,2.7836,2.7836,2.7836,1.32042,"
"1.32042,1.32042,1.32042,1.82117,1.82117,1.82117,1.82117,1.32042,"
"1.32042,1.32042,1.32042,1.82117,1.82117,1.82117,1.82117,0.470663,"
"0.470663,0.470663,0.470663,2.67093,2.67093,2.67093,2.67093,1.24437,"
"1.24437,1.24437,1.24437,1.89722,1.89722,1.89722,1.89722,1.24437,"
"1.24437,1.24437,1.24437,1.89722,1.89722,1.89722,1.89722,0.587017,"
"0.587017,0.587017,0.587017,2.55458,2.55458,2.55458,2.55458,1.16837,"
"1.16837,1.16837,1.16837,1.97322,1.97322,1.97322,1.97322,1.16837,"
"1.16837,1.16837,1.16837,1.97322,1.97322,1.97322,1.97322,0.706586,"
"0.706586,0.706586,0.706586,2.43501,2.43501,2.43501,2.43501,1.09383,"
"1.09383,1.09383,1.09383,2.04776,2.04776,2.04776,2.04776,1.09383,"
"1.09383,1.09383,1.09383,2.04776,2.04776,2.04776,2.04776,0.829288,"
"0.829288,0.829288,0.829288,2.3123,2.3123,2.3123,2.3123,1.02224,"
"1.02224,1.02224,1.02224,2.11935,2.11935,2.11935,2.11935,1.02224,"
"1.02224,1.02224,1.02224,2.11935,2.11935,2.11935,2.11935,1.08506,"
"1.08506,1.08506,1.08506,2.05653,2.05653,2.05653,2.05653,0.895259,"
"0.895259,0.895259,0.895259,2.24633,2.24633,2.24633,2.24633,"
"0.895259,0.895259,0.895259,0.895259,2.24633,2.24633,2.24633,"
"2.24633,1.21897,1.21897,1.21897,1.21897,1.92262,1.92262,1.92262,"
"1.92262,0.844918,0.844918,0.844918,0.844918,2.29667,2.29667,"
"2.29667,2.29667,0.844918,0.844918,0.844918,0.844918,2.29667,"
"2.29667,2.29667,2.29667,1.35722,1.35722,1.35722,1.35722,1.78437,"
"1.78437,1.78437,1.78437,0.807868,0.807868,0.807868,0.807868,"
"2.33372,2.33372,2.33372,2.33372,0.807868,0.807868,0.807868,"
"0.807868,2.33372,2.33372,2.33372,2.33372,1.49911,1.49911,1.49911,"
"1.49911,1.64248,1.64248,1.64248,1.64248,0.787963,0.787963,0.787963,"
"0.787963,2.35363,2.35363,2.35363,2.35363,0.787963,0.787963,"
"0.787963,0.787963,2.35363,2.35363,2.35363,2.35363,1.5708,1.5708,"
"1.5708,1.5708,1.5708,1.5708,1.5708,1.5708,0.123986,0.123986,"
"3.01761,3.01761,1.44681,1.44681,1.69478,1.69478,0.123986,0.123986,"
"3.01761,3.01761,1.44681,1.44681,1.69478,1.69478,1.5708,1.5708,"
"1.5708,1.5708,1.5708,1.5708,1.5708,1.5708,0.29849,0.29849,2.8431,"
"2.8431,1.27231,1.27231,1.86929,1.86929,0.29849,0.29849,2.8431,"
"2.8431,1.27231,1.27231,1.86929,1.86929,1.5708,1.5708,1.5708,"
"1.5708,1.5708,1.5708,1.5708,1.5708,0.489036,0.489036,2.65256,"
"2.65256,1.08176,1.08176,2.05983,2.05983,0.489036,0.489036,2.65256,"
"2.65256,1.08176,1.08176,2.05983,2.05983,1.5708,1.5708,1.5708,"
"1.5708,1.5708,1.5708,1.5708,1.5708,0.686012,0.686012,2.45558,"
"2.45558,0.884784,0.884784,2.25681,2.25681,0.686012,0.686012,"
"2.45558,2.45558,0.884784,0.884784,2.25681,2.25681,0.213134,"
"0.213134,0.213134,0.213134,2.92846,2.92846,2.92846,2.92846,1.36646,"
"1.36646,1.36646,1.36646,1.77513,1.77513,1.77513,1.77513,0.213134,"
"0.213134,0.213134,0.213134,2.92846,2.92846,2.92846,2.92846,1.51102,"
"1.51102,1.51102,1.51102,1.63057,1.63057,1.63057,1.63057,1.36646,"
"1.36646,1.36646,1.36646,1.77513,1.77513,1.77513,1.77513,1.51102,"
"1.51102,1.51102,1.51102,1.63057,1.63057,1.63057,1.63057,0.501092,"
"0.501092,0.501092,0.501092,2.6405,2.6405,2.6405,2.6405,1.09251,"
"1.09251,1.09251,1.09251,2.04909,2.04909,2.04909,2.04909,0.501092,"
"0.501092,0.501092,0.501092,2.6405,2.6405,2.6405,2.6405,1.43278,"
"1.43278,1.43278,1.43278,1.70881,1.70881,1.70881,1.70881,1.09251,"
"1.09251,1.09251,1.09251,2.04909,2.04909,2.04909,2.04909,1.43278,"
"1.43278,1.43278,1.43278,1.70881,1.70881,1.70881,1.70881,0.651884,"
"0.651884,0.651884,0.651884,2.48971,2.48971,2.48971,2.48971,1.04365,"
"1.04365,1.04365,1.04365,2.09794,2.09794,2.09794,2.09794,0.651884,"
"0.651884,0.651884,0.651884,2.48971,2.48971,2.48971,2.48971,1.22483,"
"1.22483,1.22483,1.22483,1.91676,1.91676,1.91676,1.91676,1.04365,"
"1.04365,1.04365,1.04365,2.09794,2.09794,2.09794,2.09794,1.22483,"
"1.22483,1.22483,1.22483,1.91676,1.91676,1.91676,1.91676,0.314277,"
"0.314277,0.314277,0.314277,2.82732,2.82732,2.82732,2.82732,1.28517,"
"1.28517,1.28517,1.28517,1.85642,1.85642,1.85642,1.85642,0.314277,"
"0.314277,0.314277,0.314277,2.82732,2.82732,2.82732,2.82732,1.44328,"
"1.44328,1.44328,1.44328,1.69831,1.69831,1.69831,1.69831,1.28517,"
"1.28517,1.28517,1.28517,1.85642,1.85642,1.85642,1.85642,1.44328,"
"1.44328,1.44328,1.44328,1.69831,1.69831,1.69831,1.69831,0.535245,"
"0.535245,0.535245,0.535245,2.60635,2.60635,2.60635,2.60635,1.1228,"
"1.1228,1.1228,1.1228,2.01879,2.01879,2.01879,2.01879,0.535245,"
"0.535245,0.535245,0.535245,2.60635,2.60635,2.60635,2.60635,1.29812,"
"1.29812,1.29812,1.29812,1.84347,1.84347,1.84347,1.84347,1.1228,"
"1.1228,1.1228,1.1228,2.01879,2.01879,2.01879,2.01879,1.29812,"
"1.29812,1.29812,1.29812,1.84347,1.84347,1.84347,1.84347,0.696485,"
"0.696485,0.696485,0.696485,2.44511,2.44511,2.44511,2.44511,"
"0.894874,0.894874,0.894874,0.894874,2.24672,2.24672,2.24672,"
"2.24672,0.696485,0.696485,0.696485,0.696485,2.44511,2.44511,"
"2.44511,2.44511,1.42834,1.42834,1.42834,1.42834,1.71326,1.71326,"
"1.71326,1.71326,0.894874,0.894874,0.894874,0.894874,2.24672,"
"2.24672,2.24672,2.24672,1.42834,1.42834,1.42834,1.42834,1.71326,"
"1.71326,1.71326,1.71326,0.395988,0.395988,0.395988,0.395988,"
"2.74561,2.74561,2.74561,2.74561,1.18117,1.18117,1.18117,1.18117,"
"1.96042,1.96042,1.96042,1.96042,0.395988,0.395988,0.395988,"
"0.395988,2.74561,2.74561,2.74561,2.74561,1.50365,1.50365,1.50365,"
"1.50365,1.63794,1.63794,1.63794,1.63794,1.18117,1.18117,1.18117,"
"1.18117,1.96042,1.96042,1.96042,1.96042,1.50365,1.50365,1.50365,"
"1.50365,1.63794,1.63794,1.63794,1.63794,0.589862,0.589862,0.589862,"
"0.589862,2.55173,2.55173,2.55173,2.55173,0.986335,0.986335,"
"0.986335,0.986335,2.15526,2.15526,2.15526,2.15526,0.589862,"
"0.589862,0.589862,0.589862,2.55173,2.55173,2.55173,2.55173,1.50016,"
"1.50016,1.50016,1.50016,1.64143,1.64143,1.64143,1.64143,0.986335,"
"0.986335,0.986335,0.986335,2.15526,2.15526,2.15526,2.15526,1.50016,"
"1.50016,1.50016,1.50016,1.64143,1.64143,1.64143,1.64143,0.726324,"
"0.726324,0.726324,0.726324,2.41527,2.41527,2.41527,2.41527,"
"0.923588,0.923588,0.923588,0.923588,2.218,2.218,2.218,2.218,"
"0.726324,0.726324,0.726324,0.726324,2.41527,2.41527,2.41527,"
"2.41527,1.28868,1.28868,1.28868,1.28868,1.85291,1.85291,1.85291,"
"1.85291,0.923588,0.923588,0.923588,0.923588,2.218,2.218,2.218,"
"2.218,1.28868,1.28868,1.28868,1.28868,1.85291,1.85291,1.85291,"
"1.85291,0.422374,0.422374,0.422374,0.422374,2.71922,2.71922,"
"2.71922,2.71922,1.20364,1.20364,1.20364,1.20364,1.93795,1.93795,"
"1.93795,1.93795,0.422374,0.422374,0.422374,0.422374,2.71922,"
"2.71922,2.71922,2.71922,1.37152,1.37152,1.37152,1.37152,1.77007,"
"1.77007,1.77007,1.77007,1.20364,1.20364,1.20364,1.20364,1.93795,"
"1.93795,1.93795,1.93795,1.37152,1.37152,1.37152,1.37152,1.77007,"
"1.77007,1.77007,1.77007,0.611568,0.611568,0.611568,0.611568,"
"2.53002,2.53002,2.53002,2.53002,1.00645,1.00645,1.00645,1.00645,"
"2.13515,2.13515,2.13515,2.13515,0.611568,0.611568,0.611568,"
"0.611568,2.53002,2.53002,2.53002,2.53002,1.36052,1.36052,1.36052,"
"1.36052,1.78107,1.78107,1.78107,1.78107,1.00645,1.00645,1.00645,"
"1.00645,2.13515,2.13515,2.13515,2.13515,1.36052,1.36052,1.36052,"
"1.36052,1.78107,1.78107,1.78107,1.78107,0.771893,0.771893,0.771893,"
"0.771893,2.3697,2.3697,2.3697,2.3697,0.96733,0.96733,0.96733,"
"0.96733,2.17426,2.17426,2.17426,2.17426,0.771893,0.771893,0.771893,"
"0.771893,2.3697,2.3697,2.3697,2.3697,1.15326,1.15326,1.15326,"
"1.15326,1.98834,1.98834,1.98834,1.98834,0.96733,0.96733,0.96733,"
"0.96733,2.17426,2.17426,2.17426,2.17426,1.15326,1.15326,1.15326,"
"1.15326,1.98834,1.98834,1.98834,1.98834";
Eigen::VectorXd Ge_phi_ref = ReadVectorFromString(Ge_phi_ref_string);
std::string Ge_theta_ref_string =
"0,3.14159,1.5708,-1.5708,0,0,0.785398,2.35619,"
"-0.785398,-2.35619,0.785398,2.35619,-0.785398,-2.35619,0.785398,"
"2.35619,-0.785398,-2.35619,0.785398,2.35619,-0.785398,-2.35619,"
"1.52781,1.61378,-1.52781,-1.61378,1.52781,1.61378,-1.52781,"
"-1.61378,0.0429825,3.09861,-0.0429825,-3.09861,0.0429825,3.09861,"
"-0.0429825,-3.09861,0.785398,2.35619,-0.785398,-2.35619,0.785398,"
"2.35619,-0.785398,-2.35619,1.46487,1.67672,-1.46487,-1.67672,"
"1.46487,1.67672,-1.46487,-1.67672,0.105927,3.03567,-0.105927,"
"-3.03567,0.105927,3.03567,-0.105927,-3.03567,0.785398,2.35619,"
"-0.785398,-2.35619,0.785398,2.35619,-0.785398,-2.35619,1.3921,"
"1.74949,-1.3921,-1.74949,1.3921,1.74949,-1.3921,-1.74949,0.178695,"
"2.9629,-0.178695,-2.9629,0.178695,2.9629,-0.178695,-2.9629,"
"0.785398,2.35619,-0.785398,-2.35619,0.785398,2.35619,-0.785398,"
"-2.35619,1.31218,1.82941,-1.31218,-1.82941,1.31218,1.82941,"
"-1.31218,-1.82941,0.258612,2.88298,-0.258612,-2.88298,0.258612,"
"2.88298,-0.258612,-2.88298,0.785398,2.35619,-0.785398,-2.35619,"
"0.785398,2.35619,-0.785398,-2.35619,1.22544,1.91615,-1.22544,"
"-1.91615,1.22544,1.91615,-1.22544,-1.91615,0.345357,2.79624,"
"-0.345357,-2.79624,0.345357,2.79624,-0.345357,-2.79624,0.785398,"
"2.35619,-0.785398,-2.35619,0.785398,2.35619,-0.785398,-2.35619,"
"1.13111,2.01048,-1.13111,-2.01048,1.13111,2.01048,-1.13111,"
"-2.01048,0.439687,2.70191,-0.439687,-2.70191,0.439687,2.70191,"
"-0.439687,-2.70191,0.785398,2.35619,-0.785398,-2.35619,0.785398,"
"2.35619,-0.785398,-2.35619,1.02774,2.11385,-1.02774,-2.11385,"
"1.02774,2.11385,-1.02774,-2.11385,0.543057,2.59854,-0.543057,"
"-2.59854,0.543057,2.59854,-0.543057,-2.59854,0.785398,2.35619,"
"-0.785398,-2.35619,0.785398,2.35619,-0.785398,-2.35619,0.91332,"
"2.22827,-0.91332,-2.22827,0.91332,2.22827,-0.91332,-2.22827,"
"0.657477,2.48412,-0.657477,-2.48412,0.657477,2.48412,-0.657477,"
"-2.48412,0.785398,2.35619,-0.785398,-2.35619,0.785398,2.35619,"
"-0.785398,-2.35619,0.641319,2.50027,-0.641319,-2.50027,0.641319,"
"2.50027,-0.641319,-2.50027,0.929478,2.21212,-0.929478,-2.21212,"
"0.929478,2.21212,-0.929478,-2.21212,0.785398,2.35619,-0.785398,"
"-2.35619,0.785398,2.35619,-0.785398,-2.35619,0.478857,2.66274,"
"-0.478857,-2.66274,0.478857,2.66274,-0.478857,-2.66274,1.09194,"
"2.04965,-1.09194,-2.04965,1.09194,2.04965,-1.09194,-2.04965,"
"0.785398,2.35619,-0.785398,-2.35619,0.785398,2.35619,-0.785398,"
"-2.35619,0.297608,2.84398,-0.297608,-2.84398,0.297608,2.84398,"
"-0.297608,-2.84398,1.27319,1.8684,-1.27319,-1.8684,1.27319,1.8684,"
"-1.27319,-1.8684,0.785398,2.35619,-0.785398,-2.35619,0.785398,"
"2.35619,-0.785398,-2.35619,0.101206,3.04039,-0.101206,-3.04039,"
"0.101206,3.04039,-0.101206,-3.04039,1.46959,1.672,-1.46959,-1.672,"
"1.46959,1.672,-1.46959,-1.672,1.44681,1.69478,-1.44681,-1.69478,"
"0.123986,3.01761,-0.123986,-3.01761,0,3.14159,0,3.14159,0,"
"3.14159,0,3.14159,1.5708,-1.5708,1.5708,-1.5708,1.5708,-1.5708,"
"1.5708,-1.5708,1.27231,1.86929,-1.27231,-1.86929,0.29849,2.8431,"
"-0.29849,-2.8431,0,3.14159,0,3.14159,0,3.14159,0,3.14159,1.5708,"
"-1.5708,1.5708,-1.5708,1.5708,-1.5708,1.5708,-1.5708,1.08176,"
"2.05983,-1.08176,-2.05983,0.489036,2.65256,-0.489036,-2.65256,0,"
"3.14159,0,3.14159,0,3.14159,0,3.14159,1.5708,-1.5708,1.5708,"
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Eigen::VectorXd Ge_theta_ref = ReadVectorFromString(Ge_theta_ref_string);
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Eigen::VectorXd Ge_weight_ref = ReadVectorFromString(Ge_weight_ref_string);
std::string H_phi_ref_string =
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Eigen::VectorXd H_phi_ref = ReadVectorFromString(H_phi_ref_string);
std::string H_theta_ref_string =
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"1.74771,-1.39388,-1.74771,1.39388,1.74771,-1.39388,-1.74771,"
"1.46646,1.67513,-1.46646,-1.67513,1.46646,1.67513,-1.46646,"
"-1.67513,0.529854,2.61174,-0.529854,-2.61174,0.529854,2.61174,"
"-0.529854,-2.61174,0.104337,3.03726,-0.104337,-3.03726,0.104337,"
"3.03726,-0.104337,-3.03726";
Eigen::VectorXd H_theta_ref = ReadVectorFromString(H_theta_ref_string);
std::string H_weight_ref_string =
"0.00388944,0.00388944,0.00388944,0.00388944,0.00388944,"
"0.00388944,0.0232777,0.0232777,0.0232777,0.0232777,0.0232777,"
"0.0232777,0.0232777,0.0232777,0.0235216,0.0235216,0.0235216,"
"0.0235216,0.0235216,0.0235216,0.0235216,0.0235216,0.0235216,"
"0.0235216,0.0235216,0.0235216,0.0235216,0.0235216,0.0235216,"
"0.0235216,0.0235216,0.0235216,0.0235216,0.0235216,0.0235216,"
"0.0235216,0.0235216,0.0235216,0.0233585,0.0233585,0.0233585,"
"0.0233585,0.0233585,0.0233585,0.0233585,0.0233585,0.0233585,"
"0.0233585,0.0233585,0.0233585,0.0233585,0.0233585,0.0233585,"
"0.0233585,0.0233585,0.0233585,0.0233585,0.0233585,0.0233585,"
"0.0233585,0.0233585,0.0233585,0.0232733,0.0232733,0.0232733,"
"0.0232733,0.0232733,0.0232733,0.0232733,0.0232733,0.0232733,"
"0.0232733,0.0232733,0.0232733,0.0232733,0.0232733,0.0232733,"
"0.0232733,0.0232733,0.0232733,0.0232733,0.0232733,0.0232733,"
"0.0232733,0.0232733,0.0232733,0.0232065,0.0232065,0.0232065,"
"0.0232065,0.0232065,0.0232065,0.0232065,0.0232065,0.0232065,"
"0.0232065,0.0232065,0.0232065,0.0232065,0.0232065,0.0232065,"
"0.0232065,0.0232065,0.0232065,0.0232065,0.0232065,0.0232065,"
"0.0232065,0.0232065,0.0232065,0.0228516,0.0228516,0.0228516,"
"0.0228516,0.0228516,0.0228516,0.0228516,0.0228516,0.0228516,"
"0.0228516,0.0228516,0.0228516,0.0228516,0.0228516,0.0228516,"
"0.0228516,0.0228516,0.0228516,0.0228516,0.0228516,0.0228516,"
"0.0228516,0.0228516,0.0228516,0.0219857,0.0219857,0.0219857,"
"0.0219857,0.0219857,0.0219857,0.0219857,0.0219857,0.0219857,"
"0.0219857,0.0219857,0.0219857,0.0219857,0.0219857,0.0219857,"
"0.0219857,0.0219857,0.0219857,0.0219857,0.0219857,0.0219857,"
"0.0219857,0.0219857,0.0219857,0.0203225,0.0203225,0.0203225,"
"0.0203225,0.0203225,0.0203225,0.0203225,0.0203225,0.0203225,"
"0.0203225,0.0203225,0.0203225,0.0203225,0.0203225,0.0203225,"
"0.0203225,0.0203225,0.0203225,0.0203225,0.0203225,0.0203225,"
"0.0203225,0.0203225,0.0203225,0.0174011,0.0174011,0.0174011,"
"0.0174011,0.0174011,0.0174011,0.0174011,0.0174011,0.0174011,"
"0.0174011,0.0174011,0.0174011,0.0174011,0.0174011,0.0174011,"
"0.0174011,0.0174011,0.0174011,0.0174011,0.0174011,0.0174011,"
"0.0174011,0.0174011,0.0174011,0.0122702,0.0122702,0.0122702,"
"0.0122702,0.0122702,0.0122702,0.0122702,0.0122702,0.0122702,"
"0.0122702,0.0122702,0.0122702,0.0122702,0.0122702,0.0122702,"
"0.0122702,0.0122702,0.0122702,0.0122702,0.0122702,0.0122702,"
"0.0122702,0.0122702,0.0122702,0.0233378,0.0233378,0.0233378,"
"0.0233378,0.0233378,0.0233378,0.0233378,0.0233378,0.0233378,"
"0.0233378,0.0233378,0.0233378,0.0233378,0.0233378,0.0233378,"
"0.0233378,0.0233378,0.0233378,0.0233378,0.0233378,0.0233378,"
"0.0233378,0.0233378,0.0233378,0.0214276,0.0214276,0.0214276,"
"0.0214276,0.0214276,0.0214276,0.0214276,0.0214276,0.0214276,"
"0.0214276,0.0214276,0.0214276,0.0214276,0.0214276,0.0214276,"
"0.0214276,0.0214276,0.0214276,0.0214276,0.0214276,0.0214276,"
"0.0214276,0.0214276,0.0214276,0.0163403,0.0163403,0.0163403,"
"0.0163403,0.0163403,0.0163403,0.0163403,0.0163403,0.0163403,"
"0.0163403,0.0163403,0.0163403,0.0163403,0.0163403,0.0163403,"
"0.0163403,0.0163403,0.0163403,0.0163403,0.0163403,0.0163403,"
"0.0163403,0.0163403,0.0163403,0.0231581,0.0231581,0.0231581,"
"0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,"
"0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,"
"0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,"
"0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,"
"0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,"
"0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,"
"0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,0.0231581,"
"0.0231581,0.0231581,0.0231581,0.0226529,0.0226529,0.0226529,"
"0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,"
"0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,"
"0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,"
"0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,"
"0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,"
"0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,"
"0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,0.0226529,"
"0.0226529,0.0226529,0.0226529,0.0232457,0.0232457,0.0232457,"
"0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,"
"0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,"
"0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,"
"0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,"
"0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,"
"0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,"
"0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,0.0232457,"
"0.0232457,0.0232457,0.0232457,0.0215376,0.0215376,0.0215376,"
"0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,"
"0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,"
"0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,"
"0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,"
"0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,"
"0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,"
"0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,0.0215376,"
"0.0215376,0.0215376,0.0215376,0.0195434,0.0195434,0.0195434,"
"0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,"
"0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,"
"0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,"
"0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,"
"0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,"
"0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,"
"0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,0.0195434,"
"0.0195434,0.0195434,0.0195434,0.0226476,0.0226476,0.0226476,"
"0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,"
"0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,"
"0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,"
"0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,"
"0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,"
"0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,"
"0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,0.0226476,"
"0.0226476,0.0226476,0.0226476";
Eigen::VectorXd H_weight_ref = ReadVectorFromString(H_weight_ref_string);
BOOST_CHECK_EQUAL(Gegrid.phi.size(), Ge_phi_ref.size());
BOOST_CHECK_EQUAL(Gegrid.theta.size(), Ge_theta_ref.size());
BOOST_CHECK_EQUAL(Gegrid.weight.size(), Ge_weight_ref.size());
BOOST_CHECK_EQUAL(Hgrid.phi.size(), H_phi_ref.size());
BOOST_CHECK_EQUAL(Hgrid.theta.size(), H_theta_ref.size());
BOOST_CHECK_EQUAL(Hgrid.weight.size(), H_weight_ref.size());
bool Gephi = Ge_phi_ref.isApprox(Gegrid.phi, 0.001);
bool Getheta = Ge_theta_ref.isApprox(Gegrid.theta, 0.001);
if (!Gephi || !Getheta) {
std::cout << "phi_ref : Phi_comp | theta_ref : theta_comp" << std::endl;
for (Index i = 0; i < Ge_phi_ref.size(); i++) {
std::cout << Gegrid.phi[i] << ":" << Ge_phi_ref[i] << " | "
<< Gegrid.theta[i] << ":" << Ge_theta_ref[i] << std::endl;
}
}
bool Geweight = Ge_weight_ref.isApprox(Gegrid.weight, 0.0001);
BOOST_CHECK_EQUAL(Gephi, true);
BOOST_CHECK_EQUAL(Getheta, true);
BOOST_CHECK_EQUAL(Geweight, true);
bool Hphi = H_phi_ref.isApprox(Hgrid.phi, 0.001);
bool Htheta = H_theta_ref.isApprox(Hgrid.theta, 0.001);
bool Hweight = H_weight_ref.isApprox(Hgrid.weight, 0.0001);
BOOST_CHECK_EQUAL(Hphi, true);
BOOST_CHECK_EQUAL(Htheta, true);
BOOST_CHECK_EQUAL(Hweight, true);
}
BOOST_AUTO_TEST_SUITE_END()