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