50 lines
2.0 KiB
C++
50 lines
2.0 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/ Sandia National Laboratories
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LAMMPS Development team: developers@lammps.org
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef TEST_MAIN_H
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#define TEST_MAIN_H
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#include "atom.h"
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#include "lammps.h"
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#include "test_config.h"
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#include <string>
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#include <vector>
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extern TestConfig test_config;
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extern bool print_stats;
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extern bool verbose;
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extern std::string INPUT_FOLDER;
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// convenience method to write out common entries
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void write_yaml_header(class YamlWriter *writer, TestConfig *cfg, const char *version);
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#define EXPECT_FP_LE_WITH_EPS(val1, val2, eps) \
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do { \
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const double diff = fabs(val1 - val2); \
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const double div = std::min(fabs(val1), fabs(val2)); \
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const double err = (div == 0.0) ? diff : diff / div; \
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stats.add(err); \
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EXPECT_PRED_FORMAT2(::testing::DoubleLE, err, eps); \
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} while (0);
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void EXPECT_STRESS(const std::string &name, double *stress, const stress_t &expected_stress,
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double epsilon);
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void EXPECT_FORCES(const std::string &name, LAMMPS_NS::Atom *atom,
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const std::vector<coord_t> &f_ref, double epsilon);
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void EXPECT_POSITIONS(const std::string &name, LAMMPS_NS::Atom *atom,
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const std::vector<coord_t> &x_ref, double epsilon);
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void EXPECT_VELOCITIES(const std::string &name, LAMMPS_NS::Atom *atom,
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const std::vector<coord_t> &v_ref, double epsilon);
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#endif
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