ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

apply clang-format settings to the c++ sources in the unittest tree

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-06-13 01:54:58 -04:00
parent 4d62ea98cf
commit 3db944decc
18 changed files with 1400 additions and 1429 deletions
Download Patch File Download Diff File Expand all files Collapse all files

171
unittest/force-styles/test_config_reader.cpp
View File

@ -11,75 +11,78 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "test_config.h"
#include "test_config_reader.h"
#include "yaml_reader.h"
#include "test_config.h"
#include "yaml.h"
#include "yaml_reader.h"
#include <cstring>
#include <cstdlib>
#include <cstring>
#include <string>
#include <iostream>
#include <sstream>
#include <string>
#include <utility>
#include <vector>
TestConfigReader::TestConfigReader(TestConfig & config)
: YamlReader(), config(config) {
TestConfigReader::TestConfigReader(TestConfig &config) : YamlReader(), config(config)
{
consumers["lammps_version"] = &TestConfigReader::lammps_version;
consumers["date_generated"] = &TestConfigReader::date_generated;
consumers["epsilon"] = &TestConfigReader::epsilon;
consumers["prerequisites"] = &TestConfigReader::prerequisites;
consumers["pre_commands"] = &TestConfigReader::pre_commands;
consumers["post_commands"] = &TestConfigReader::post_commands;
consumers["input_file"] = &TestConfigReader::input_file;
consumers["extract"] = &TestConfigReader::extract;
consumers["natoms"] = &TestConfigReader::natoms;
consumers["init_stress"] = &TestConfigReader::init_stress;
consumers["run_stress"] = &TestConfigReader::run_stress;
consumers["init_forces"] = &TestConfigReader::init_forces;
consumers["run_forces"] = &TestConfigReader::run_forces;
consumers["epsilon"] = &TestConfigReader::epsilon;
consumers["prerequisites"] = &TestConfigReader::prerequisites;
consumers["pre_commands"] = &TestConfigReader::pre_commands;
consumers["post_commands"] = &TestConfigReader::post_commands;
consumers["input_file"] = &TestConfigReader::input_file;
consumers["extract"] = &TestConfigReader::extract;
consumers["natoms"] = &TestConfigReader::natoms;
consumers["init_stress"] = &TestConfigReader::init_stress;
consumers["run_stress"] = &TestConfigReader::run_stress;
consumers["init_forces"] = &TestConfigReader::init_forces;
consumers["run_forces"] = &TestConfigReader::run_forces;
consumers["pair_style"] = &TestConfigReader::pair_style;
consumers["pair_coeff"] = &TestConfigReader::pair_coeff;
consumers["init_vdwl"] = &TestConfigReader::init_vdwl;
consumers["init_coul"] = &TestConfigReader::init_coul;
consumers["run_vdwl"] = &TestConfigReader::run_vdwl;
consumers["run_coul"] = &TestConfigReader::run_coul;
consumers["pair_style"] = &TestConfigReader::pair_style;
consumers["pair_coeff"] = &TestConfigReader::pair_coeff;
consumers["init_vdwl"] = &TestConfigReader::init_vdwl;
consumers["init_coul"] = &TestConfigReader::init_coul;
consumers["run_vdwl"] = &TestConfigReader::run_vdwl;
consumers["run_coul"] = &TestConfigReader::run_coul;
consumers["bond_style"] = &TestConfigReader::bond_style;
consumers["bond_coeff"] = &TestConfigReader::bond_coeff;
consumers["angle_style"] = &TestConfigReader::angle_style;
consumers["angle_coeff"] = &TestConfigReader::angle_coeff;
consumers["init_energy"] = &TestConfigReader::init_energy;
consumers["run_energy"] = &TestConfigReader::run_energy;
consumers["equilibrium"] = &TestConfigReader::equilibrium;
consumers["bond_style"] = &TestConfigReader::bond_style;
consumers["bond_coeff"] = &TestConfigReader::bond_coeff;
consumers["angle_style"] = &TestConfigReader::angle_style;
consumers["angle_coeff"] = &TestConfigReader::angle_coeff;
consumers["init_energy"] = &TestConfigReader::init_energy;
consumers["run_energy"] = &TestConfigReader::run_energy;
consumers["equilibrium"] = &TestConfigReader::equilibrium;
}
void TestConfigReader::prerequisites(const yaml_event_t & event) {
void TestConfigReader::prerequisites(const yaml_event_t &event)
{
config.prerequisites.clear();
std::stringstream data((char *)event.data.scalar.value);
std::string key, value;
while(1) {
while (1) {
data >> key >> value;
if (data.eof()) break;
config.prerequisites.push_back(std::make_pair(key,value));
config.prerequisites.push_back(std::make_pair(key, value));
}
}
void TestConfigReader::pre_commands(const yaml_event_t & event) {
void TestConfigReader::pre_commands(const yaml_event_t &event)
{
config.pre_commands.clear();
std::stringstream data((char *)event.data.scalar.value);
std::string line;
while(std::getline(data, line, '\n')) {
while (std::getline(data, line, '\n')) {
config.pre_commands.push_back(line);
}
}
void TestConfigReader::post_commands(const yaml_event_t & event) {
void TestConfigReader::post_commands(const yaml_event_t &event)
{
config.post_commands.clear();
std::stringstream data((char *)event.data.scalar.value);
std::string line;
@ -89,63 +92,68 @@ void TestConfigReader::post_commands(const yaml_event_t & event) {
}
}
void TestConfigReader::lammps_version(const yaml_event_t & event) {
void TestConfigReader::lammps_version(const yaml_event_t &event)
{
config.lammps_version = (char *)event.data.scalar.value;
}
void TestConfigReader::date_generated(const yaml_event_t & event) {
void TestConfigReader::date_generated(const yaml_event_t &event)
{
config.date_generated = (char *)event.data.scalar.value;
}
void TestConfigReader::epsilon(const yaml_event_t & event) {
void TestConfigReader::epsilon(const yaml_event_t &event)
{
config.epsilon = atof((char *)event.data.scalar.value);
}
void TestConfigReader::input_file(const yaml_event_t & event) {
void TestConfigReader::input_file(const yaml_event_t &event)
{
config.input_file = (char *)event.data.scalar.value;
}
void TestConfigReader::extract(const yaml_event_t & event) {
void TestConfigReader::extract(const yaml_event_t &event)
{
config.extract.clear();
std::stringstream data((char *)event.data.scalar.value);
std::string name;
int value;
while(1) {
while (1) {
data >> name >> value;
if (data.eof()) break;
config.extract.push_back(make_pair(name, value));
}
}
void TestConfigReader::natoms(const yaml_event_t & event) {
void TestConfigReader::natoms(const yaml_event_t &event)
{
config.natoms = atoi((char *)event.data.scalar.value);
}
void TestConfigReader::init_stress(const yaml_event_t & event) {
void TestConfigReader::init_stress(const yaml_event_t &event)
{
stress_t stress;
sscanf((char *)event.data.scalar.value,
"%lg %lg %lg %lg %lg %lg",
&stress.xx, &stress.yy, &stress.zz,
&stress.xy, &stress.xz, &stress.yz);
sscanf((char *)event.data.scalar.value, "%lg %lg %lg %lg %lg %lg", &stress.xx, &stress.yy,
&stress.zz, &stress.xy, &stress.xz, &stress.yz);
config.init_stress = stress;
}
void TestConfigReader::run_stress(const yaml_event_t & event) {
void TestConfigReader::run_stress(const yaml_event_t &event)
{
stress_t stress;
sscanf((char *)event.data.scalar.value,
"%lg %lg %lg %lg %lg %lg",
&stress.xx, &stress.yy, &stress.zz,
&stress.xy, &stress.xz, &stress.yz);
sscanf((char *)event.data.scalar.value, "%lg %lg %lg %lg %lg %lg", &stress.xx, &stress.yy,
&stress.zz, &stress.xy, &stress.xz, &stress.yz);
config.run_stress = stress;
}
void TestConfigReader::init_forces(const yaml_event_t & event) {
void TestConfigReader::init_forces(const yaml_event_t &event)
{
config.init_forces.clear();
config.init_forces.resize(config.natoms+1);
std::stringstream data((const char*)event.data.scalar.value);
config.init_forces.resize(config.natoms + 1);
std::stringstream data((const char *)event.data.scalar.value);
std::string line;
while(std::getline(data, line, '\n')) {
while (std::getline(data, line, '\n')) {
int tag = 0;
coord_t xyz;
sscanf(line.c_str(), "%d %lg %lg %lg", &tag, &xyz.x, &xyz.y, &xyz.z);
@ -153,13 +161,14 @@ void TestConfigReader::init_forces(const yaml_event_t & event) {
}
}
void TestConfigReader::run_forces(const yaml_event_t & event) {
void TestConfigReader::run_forces(const yaml_event_t &event)
{
config.run_forces.clear();
config.run_forces.resize(config.natoms+1);
config.run_forces.resize(config.natoms + 1);
std::stringstream data((char *)event.data.scalar.value);
std::string line;
while(std::getline(data, line, '\n')) {
while (std::getline(data, line, '\n')) {
int tag;
coord_t xyz;
sscanf(line.c_str(), "%d %lg %lg %lg", &tag, &xyz.x, &xyz.y, &xyz.z);
@ -167,11 +176,13 @@ void TestConfigReader::run_forces(const yaml_event_t & event) {
}
}
void TestConfigReader::pair_style(const yaml_event_t & event) {
void TestConfigReader::pair_style(const yaml_event_t &event)
{
config.pair_style = (char *)event.data.scalar.value;
}
void TestConfigReader::pair_coeff(const yaml_event_t & event) {
void TestConfigReader::pair_coeff(const yaml_event_t &event)
{
config.pair_coeff.clear();
std::stringstream data((char *)event.data.scalar.value);
std::string line;
@ -181,11 +192,13 @@ void TestConfigReader::pair_coeff(const yaml_event_t & event) {
}
}
void TestConfigReader::bond_style(const yaml_event_t & event) {
void TestConfigReader::bond_style(const yaml_event_t &event)
{
config.bond_style = (char *)event.data.scalar.value;
}
void TestConfigReader::bond_coeff(const yaml_event_t & event) {
void TestConfigReader::bond_coeff(const yaml_event_t &event)
{
config.bond_coeff.clear();
std::stringstream data((char *)event.data.scalar.value);
std::string line;
@ -195,11 +208,13 @@ void TestConfigReader::bond_coeff(const yaml_event_t & event) {
}
}
void TestConfigReader::angle_style(const yaml_event_t & event) {
void TestConfigReader::angle_style(const yaml_event_t &event)
{
config.angle_style = (char *)event.data.scalar.value;
}
void TestConfigReader::angle_coeff(const yaml_event_t & event) {
void TestConfigReader::angle_coeff(const yaml_event_t &event)
{
config.angle_coeff.clear();
std::stringstream data((char *)event.data.scalar.value);
std::string line;
@ -209,40 +224,46 @@ void TestConfigReader::angle_coeff(const yaml_event_t & event) {
}
}
void TestConfigReader::equilibrium(const yaml_event_t & event) {
void TestConfigReader::equilibrium(const yaml_event_t &event)
{
std::stringstream data((char *)event.data.scalar.value);
config.equilibrium.clear();
double value;
std::size_t num;
data >> num;
for (std::size_t i=0; i < num; ++i) {
for (std::size_t i = 0; i < num; ++i) {
data >> value;
if (data.eof()) break;
config.equilibrium.push_back(value);
}
}
void TestConfigReader::init_vdwl(const yaml_event_t & event) {
void TestConfigReader::init_vdwl(const yaml_event_t &event)
{
config.init_vdwl = atof((char *)event.data.scalar.value);
}
void TestConfigReader::init_coul(const yaml_event_t & event) {
void TestConfigReader::init_coul(const yaml_event_t &event)
{
config.init_coul = atof((char *)event.data.scalar.value);
}
void TestConfigReader::run_vdwl(const yaml_event_t & event) {
void TestConfigReader::run_vdwl(const yaml_event_t &event)
{
config.run_vdwl = atof((char *)event.data.scalar.value);
}
void TestConfigReader::run_coul(const yaml_event_t & event) {
void TestConfigReader::run_coul(const yaml_event_t &event)
{
config.run_coul = atof((char *)event.data.scalar.value);
}
void TestConfigReader::init_energy(const yaml_event_t & event) {
void TestConfigReader::init_energy(const yaml_event_t &event)
{
config.init_energy = atof((char *)event.data.scalar.value);
}
void TestConfigReader::run_energy(const yaml_event_t & event) {
void TestConfigReader::run_energy(const yaml_event_t &event)
{
config.run_energy = atof((char *)event.data.scalar.value);
}