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add tests for trexio_info

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This commit is contained in:
q-posev 2022-01-20 14:22:32 +01:00
parent 23c1601442
commit 5e82e0fc57
3 changed files with 12 additions and 7 deletions
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2
python/test/test_api.py
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@ -38,6 +38,8 @@ except:
#============ WRITE THE DATA IN THE TEST FILE ============# #============ WRITE THE DATA IN THE TEST FILE ============#
#=========================================================# #=========================================================#
trexio.info()
# create TREXIO file and open it for writing # create TREXIO file and open it for writing
test_file = trexio.File(output_filename, mode='w', back_end=TEST_TREXIO_BACKEND) test_file = trexio.File(output_filename, mode='w', back_end=TEST_TREXIO_BACKEND)
assert test_file.exists assert test_file.exists

14
tests/io_all.c
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@ -14,6 +14,8 @@ int main() {
int rc; int rc;
trexio_info();
bool have_hdf5 = trexio_has_backend(TREXIO_HDF5); bool have_hdf5 = trexio_has_backend(TREXIO_HDF5);
if(have_hdf5) { if(have_hdf5) {
rc = system("rm -f -- test_all.h5"); rc = system("rm -f -- test_all.h5");
@ -72,7 +74,7 @@ int test_write(const char* file_name, const back_end_t backend) {
"H 999asdasd" , "H 999asdasd" ,
"H" , "H" ,
"H" }; "H" };
const char* sym = "B3U with some comments"; const char* sym = "B3U with some comments";
/*================= START OF TEST ==================*/ /*================= START OF TEST ==================*/
@ -96,11 +98,11 @@ int test_write(const char* file_name, const back_end_t backend) {
assert (rc == TREXIO_SUCCESS); assert (rc == TREXIO_SUCCESS);
rc = trexio_write_nucleus_point_group(file, sym, 32); rc = trexio_write_nucleus_point_group(file, sym, 32);
assert (rc == TREXIO_SUCCESS); assert (rc == TREXIO_SUCCESS);
// close current session // close current session
rc = trexio_close(file); rc = trexio_close(file);
assert (rc == TREXIO_SUCCESS); assert (rc == TREXIO_SUCCESS);
// reopen file in 'write' mode // reopen file in 'write' mode
file = trexio_open(file_name, 'w', backend, &rc); file = trexio_open(file_name, 'w', backend, &rc);
assert (file != NULL); assert (file != NULL);
@ -188,7 +190,7 @@ int test_read(const char* file_name, const back_end_t backend) {
assert (rc == TREXIO_SUCCESS); assert (rc == TREXIO_SUCCESS);
assert (strcmp(label[0], "C") == 0); assert (strcmp(label[0], "C") == 0);
assert (strcmp(label[1], "Na") == 0); assert (strcmp(label[1], "Na") == 0);
for (int i=0; i<num; i++){ for (int i=0; i<num; i++){
free(label[i]); free(label[i]);
} }
@ -220,8 +222,6 @@ int test_read(const char* file_name, const back_end_t backend) {
assert (file2 == NULL); assert (file2 == NULL);
/*================= END OF TEST =====================*/ /*================= END OF TEST =====================*/
return 0; return 0;
} }

3
tests/test_f.f90
View File

@ -3,6 +3,7 @@ program test_trexio
use, intrinsic :: iso_c_binding use, intrinsic :: iso_c_binding
implicit none implicit none
integer :: rc
logical :: have_hdf5 logical :: have_hdf5
print * , "============================================" print * , "============================================"
@ -11,6 +12,8 @@ program test_trexio
print'(a,i3)', " TREXIO MINOR VERSION : ", TREXIO_VERSION_MINOR print'(a,i3)', " TREXIO MINOR VERSION : ", TREXIO_VERSION_MINOR
print * , "============================================" print * , "============================================"
rc = trexio_info()
call system('rm -rf -- test_write_f.dir') call system('rm -rf -- test_write_f.dir')
print *, 'call test_write(''test_write_f.dir'', TREXIO_TEXT)' print *, 'call test_write(''test_write_f.dir'', TREXIO_TEXT)'
call test_write('test_write_f.dir', TREXIO_TEXT) call test_write('test_write_f.dir', TREXIO_TEXT)