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https://github.com/TREX-CoE/trexio.git
synced 2024-12-22 20:35:44 +01:00
add tests for trexio_info
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@ -38,6 +38,8 @@ except:
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#============ WRITE THE DATA IN THE TEST FILE ============#
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#=========================================================#
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trexio.info()
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# create TREXIO file and open it for writing
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test_file = trexio.File(output_filename, mode='w', back_end=TEST_TREXIO_BACKEND)
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assert test_file.exists
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@ -14,6 +14,8 @@ int main() {
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int rc;
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trexio_info();
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bool have_hdf5 = trexio_has_backend(TREXIO_HDF5);
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if(have_hdf5) {
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rc = system("rm -f -- test_all.h5");
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@ -72,7 +74,7 @@ int test_write(const char* file_name, const back_end_t backend) {
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"H 999asdasd" ,
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"H" ,
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"H" };
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const char* sym = "B3U with some comments";
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/*================= START OF TEST ==================*/
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@ -96,11 +98,11 @@ int test_write(const char* file_name, const back_end_t backend) {
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assert (rc == TREXIO_SUCCESS);
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rc = trexio_write_nucleus_point_group(file, sym, 32);
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assert (rc == TREXIO_SUCCESS);
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// close current session
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rc = trexio_close(file);
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assert (rc == TREXIO_SUCCESS);
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// reopen file in 'write' mode
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file = trexio_open(file_name, 'w', backend, &rc);
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assert (file != NULL);
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@ -188,7 +190,7 @@ int test_read(const char* file_name, const back_end_t backend) {
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assert (rc == TREXIO_SUCCESS);
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assert (strcmp(label[0], "C") == 0);
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assert (strcmp(label[1], "Na") == 0);
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for (int i=0; i<num; i++){
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free(label[i]);
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}
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@ -220,8 +222,6 @@ int test_read(const char* file_name, const back_end_t backend) {
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assert (file2 == NULL);
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/*================= END OF TEST =====================*/
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return 0;
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}
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@ -3,6 +3,7 @@ program test_trexio
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use, intrinsic :: iso_c_binding
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implicit none
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integer :: rc
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logical :: have_hdf5
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print * , "============================================"
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@ -11,6 +12,8 @@ program test_trexio
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print'(a,i3)', " TREXIO MINOR VERSION : ", TREXIO_VERSION_MINOR
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print * , "============================================"
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rc = trexio_info()
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call system('rm -rf -- test_write_f.dir')
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print *, 'call test_write(''test_write_f.dir'', TREXIO_TEXT)'
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call test_write('test_write_f.dir', TREXIO_TEXT)
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