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modernize and reformat with clang-tidy and clang-format

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This commit is contained in:
Axel Kohlmeyer
2024-07-04 11:17:54 -04:00
parent cefe76919c
commit da2bd44b73
55 changed files with 980 additions and 971 deletions
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63
unittest/fortran/wrap_neighlist.cpp
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@ -1,14 +1,14 @@
// unit tests for accessing neighbor lists in a LAMMPS instance through the Fortran wrapper
#include "force.h"
#include "info.h"
#include "lammps.h"
#include "library.h"
#include "force.h"
#include "modify.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "info.h"
//#include <cstdint>
//#include <cstdlib>
#include "neighbor.h"
// #include <cstdint>
// #include <cstdlib>
#include <mpi.h>
#include <string>
@ -33,13 +33,15 @@ protected:
LAMMPS_neighbors() = default;
~LAMMPS_neighbors() override = default;
void SetUp() override {
void SetUp() override
{
::testing::internal::CaptureStdout();
lmp = (LAMMPS_NS::LAMMPS *)f_lammps_with_args();
std::string output = ::testing::internal::GetCapturedStdout();
EXPECT_STREQ(output.substr(0, 8).c_str(), "LAMMPS (");
}
void TearDown() override {
void TearDown() override
{
::testing::internal::CaptureStdout();
f_lammps_close();
std::string output = ::testing::internal::GetCapturedStdout();
@ -52,14 +54,13 @@ TEST_F(LAMMPS_neighbors, pair)
{
f_lammps_setup_neigh_tests();
int pair_neighlist = f_lammps_pair_neighlist_test();
Pair *pair = lmp->force->pair_match("lj/cut",1,0);
int index = -2;
Pair *pair = lmp->force->pair_match("lj/cut", 1, 0);
int index = -2;
if (pair != nullptr) {
for (int i = 0; i < lmp->neighbor->nlist; i++) {
NeighList *list = lmp->neighbor->lists[i];
if ((list->requestor_type == NeighList::PAIR)
and (pair == list->requestor)
and (list->id == 0)) {
if ((list->requestor_type == NeighList::PAIR) and (pair == list->requestor) and
(list->id == 0)) {
index = i;
break;
}
@ -72,16 +73,16 @@ TEST_F(LAMMPS_neighbors, fix)
{
if (not Info::has_package("REPLICA")) GTEST_SKIP();
f_lammps_setup_neigh_tests();
auto fix = lmp->modify->get_fix_by_id("f");
auto *fix = lmp->modify->get_fix_by_id("f");
EXPECT_NE(fix, nullptr);
int ilist = -2;
for (int i = 0; i < lmp->neighbor->nlist; i++) {
NeighList *list = lmp->neighbor->lists[i];
if ( (list->requestor_type == NeighList::FIX)
and (fix == list->requestor) and (list->id == 0) ) {
ilist = i;
break;
}
NeighList *list = lmp->neighbor->lists[i];
if ((list->requestor_type == NeighList::FIX) and (fix == list->requestor) and
(list->id == 0)) {
ilist = i;
break;
}
}
EXPECT_EQ(ilist, f_lammps_fix_neighlist_test());
};
@ -89,13 +90,13 @@ TEST_F(LAMMPS_neighbors, fix)
TEST_F(LAMMPS_neighbors, compute)
{
f_lammps_setup_neigh_tests();
auto compute = lmp->modify->get_compute_by_id("c");
EXPECT_NE(compute,nullptr);
auto *compute = lmp->modify->get_compute_by_id("c");
EXPECT_NE(compute, nullptr);
int ilist = -2;
for (int i=0; i < lmp->neighbor->nlist; i++) {
for (int i = 0; i < lmp->neighbor->nlist; i++) {
NeighList *list = lmp->neighbor->lists[i];
if ( (list->requestor_type == NeighList::COMPUTE)
and (compute == list->requestor) and (list->id == 0) ) {
if ((list->requestor_type == NeighList::COMPUTE) and (compute == list->requestor) and
(list->id == 0)) {
ilist = i;
break;
}
@ -107,17 +108,17 @@ TEST_F(LAMMPS_neighbors, numelements)
{
f_lammps_setup_neigh_tests();
int num_neigh = 0;
int pair_id = f_lammps_pair_neighlist_test();
num_neigh = f_lammps_neighlist_num_elements(pair_id);
int pair_id = f_lammps_pair_neighlist_test();
num_neigh = f_lammps_neighlist_num_elements(pair_id);
EXPECT_EQ(num_neigh, lammps_neighlist_num_elements(lmp, pair_id));
if (Info::has_package("REPLICA")) {
int fix_id = f_lammps_fix_neighlist_test();
num_neigh = f_lammps_neighlist_num_elements(fix_id);
EXPECT_EQ(num_neigh, lammps_neighlist_num_elements(lmp, fix_id));
int fix_id = f_lammps_fix_neighlist_test();
num_neigh = f_lammps_neighlist_num_elements(fix_id);
EXPECT_EQ(num_neigh, lammps_neighlist_num_elements(lmp, fix_id));
}
int compute_id = f_lammps_compute_neighlist_test();
num_neigh = f_lammps_neighlist_num_elements(compute_id);
num_neigh = f_lammps_neighlist_num_elements(compute_id);
EXPECT_EQ(num_neigh, lammps_neighlist_num_elements(lmp, compute_id));
};
} // LAMMPS_NS
} // namespace LAMMPS_NS