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https://github.com/TREX-CoE/trexio.git
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add C test for file reopening to write missing blocks
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parent
693f8d3846
commit
06153d10cc
18
tests/test.c
18
tests/test.c
@ -67,8 +67,6 @@ 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_coord(file,coord);
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assert (rc == TREXIO_SUCCESS);
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rc = trexio_write_nucleus_charge(file,charge);
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assert (rc == TREXIO_SUCCESS);
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// check if the written data exists in the file
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rc = trexio_has_nucleus_num(file);
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@ -76,12 +74,12 @@ int test_write(const char* file_name, const back_end_t backend) {
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rc = trexio_has_nucleus_coord(file);
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assert (rc == TREXIO_SUCCESS);
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// should not work: try to overwrite the nucleus_num
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// should not work: try to overwrite the num variable
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rc = trexio_write_nucleus_num(file,25);
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printf("Test error message: %s\n", trexio_string_of_error(rc));
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assert (rc == TREXIO_NUM_ALREADY_EXISTS);
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// overwrite the nucleus_coord
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// should not work: try to overwrite the dset
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coord[0] = 666.666;
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rc = trexio_write_nucleus_coord(file,coord);
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assert (rc == TREXIO_DSET_ALREADY_EXISTS);
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@ -90,6 +88,18 @@ int test_write(const char* file_name, const back_end_t backend) {
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rc = trexio_close(file);
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assert (rc == TREXIO_SUCCESS);
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// open file again in 'write' mode
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file = trexio_open(file_name, 'w', backend);
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assert (file != NULL);
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// write some missing blocks (e.g. if forgot last time)
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rc = trexio_write_nucleus_charge(file,charge);
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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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/*================= END OF TEST ==================*/
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return 0;
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