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add tests for string attributes

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This commit is contained in:
q-posev 2021-06-04 15:36:56 +02:00
parent 3082dbbaf3
commit 02d2561d73
2 changed files with 31 additions and 5 deletions
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16
tests/test.c
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@ -70,6 +70,7 @@ int test_h5write() {
strcat(labelxxx,TREXIO_DELIM); strcat(labelxxx,TREXIO_DELIM);
} }
const char* sym = "B3U";
/*================= START OF TEST ==================*/ /*================= START OF TEST ==================*/
// open file in 'write' mode // open file in 'write' mode
@ -93,6 +94,8 @@ int test_h5write() {
rc = trexio_write_nucleus_label(file,labelxxx, 4); rc = trexio_write_nucleus_label(file,labelxxx, 4);
assert (rc == TREXIO_SUCCESS); assert (rc == TREXIO_SUCCESS);
rc = trexio_write_nucleus_symmetry(file, sym);
assert (rc == TREXIO_SUCCESS);
// check if the written data exists in the file // check if the written data exists in the file
rc = trexio_has_nucleus_num(file); rc = trexio_has_nucleus_num(file);
assert (rc == TREXIO_SUCCESS); assert (rc == TREXIO_SUCCESS);
@ -100,6 +103,8 @@ int test_h5write() {
assert (rc == TREXIO_SUCCESS); assert (rc == TREXIO_SUCCESS);
rc = trexio_has_nucleus_label(file); rc = trexio_has_nucleus_label(file);
assert (rc == TREXIO_SUCCESS); assert (rc == TREXIO_SUCCESS);
rc = trexio_has_nucleus_symmetry(file);
assert (rc == TREXIO_SUCCESS);
// should not work: try to overwrite the nucleus_num // should not work: try to overwrite the nucleus_num
rc = trexio_write_nucleus_num(file,25); rc = trexio_write_nucleus_num(file,25);
@ -144,6 +149,7 @@ int test_h5read() {
double* coord; double* coord;
char** label; char** label;
char* labelxxx; char* labelxxx;
char* symmetry;
/*================= START OF TEST ==================*/ /*================= START OF TEST ==================*/
@ -171,7 +177,7 @@ int test_h5read() {
label[i] = (char*) malloc(max_str_len*sizeof(char)); label[i] = (char*) malloc(max_str_len*sizeof(char));
} }
labelxxx = (char*) malloc(num*4*sizeof(char*)); labelxxx = (char*) malloc(num*4*sizeof(char));
rc = trexio_read_nucleus_label(file,labelxxx, 4); rc = trexio_read_nucleus_label(file,labelxxx, 4);
//rc = trexio_read_nucleus_label(file,label); //rc = trexio_read_nucleus_label(file,label);
@ -185,6 +191,14 @@ int test_h5read() {
pch = strtok(NULL, TREXIO_DELIM); pch = strtok(NULL, TREXIO_DELIM);
assert( strcmp(pch, "Na") == 0 ); assert( strcmp(pch, "Na") == 0 );
symmetry = (char*) malloc(32*sizeof(char));
rc = trexio_read_nucleus_symmetry(file, symmetry);
assert (rc == TREXIO_SUCCESS);
assert( strcmp(symmetry, "B3U") == 0 );
free(symmetry);
// close current session // close current session
rc = trexio_close(file); rc = trexio_close(file);
assert (rc == TREXIO_SUCCESS); assert (rc == TREXIO_SUCCESS);

20
tests/test.f90
View File

@ -23,6 +23,7 @@ subroutine test_write()
double precision :: coord(3,12) double precision :: coord(3,12)
character(len=:), allocatable :: label_str character(len=:), allocatable :: label_str
character(len=:), allocatable :: sym_str
character(len=4):: label(12) character(len=4):: label(12)
! parameters to be written ! parameters to be written
@ -44,12 +45,12 @@ subroutine test_write()
label = [character(len=4) :: 'C', 'Na','C', 'C', 'C','C', 'H', 'H', 'H', 'Ru', 'H', 'H' ] label = [character(len=4) :: 'C', 'Na','C', 'C', 'C','C', 'H', 'H', 'H', 'Ru', 'H', 'H' ]
label_str='' label_str = ''
do i = 1,num do i = 1,num
label_str=label_str//trim(label(i))//TREXIO_DELIM label_str = label_str // trim(label(i)) // TREXIO_DELIM
enddo enddo
sym_str = 'B3U with some juice' // c_null_char
! ================= START OF TEST ===================== ! ! ================= START OF TEST ===================== !
! trex_file = trexio_open('trexio_test_fort', 'w', TREXIO_TEXT) ! trex_file = trexio_open('trexio_test_fort', 'w', TREXIO_TEXT)
@ -73,6 +74,10 @@ subroutine test_write()
if (rc == TREXIO_SUCCESS) write(*,*) 'SUCCESS WRITE LABEL' if (rc == TREXIO_SUCCESS) write(*,*) 'SUCCESS WRITE LABEL'
deallocate(label_str) deallocate(label_str)
rc = trexio_write_nucleus_symmetry(trex_file, sym_str)
if (rc == TREXIO_SUCCESS) write(*,*) 'SUCCESS WRITE SYMMETRY'
deallocate(sym_str)
rc = trexio_has_nucleus_num(trex_file) rc = trexio_has_nucleus_num(trex_file)
if (rc == TREXIO_SUCCESS) write(*,*) 'SUCCESS HAS 1' if (rc == TREXIO_SUCCESS) write(*,*) 'SUCCESS HAS 1'
rc = trexio_has_nucleus_coord(trex_file) rc = trexio_has_nucleus_coord(trex_file)
@ -117,10 +122,13 @@ subroutine test_read()
double precision :: charge(12) double precision :: charge(12)
double precision :: coord(3,12) double precision :: coord(3,12)
character :: label_str(128) character :: label_str(128)
character(len=4) :: tmp_str character(len=4) :: tmp_str
character(len=4) :: label(12) character(len=4) :: label(12)
character(len=32) :: sym_str
character*(128) :: str character*(128) :: str
num = 12 num = 12
@ -167,7 +175,11 @@ subroutine test_read()
write(*,*) label write(*,*) label
! -------------------------------------------------- ! --------------------------------------------------
if (rc == TREXIO_SUCCESS .and. (trim(label(2)) == 'Na' )) write(*,*) 'SUCCESS READ LABEL' if (rc == TREXIO_SUCCESS .and. (trim(label(2)) == 'Na') ) write(*,*) 'SUCCESS READ LABEL'
rc = trexio_read_nucleus_symmetry(trex_file, sym_str)
write(*,*) sym_str
if (rc == TREXIO_SUCCESS .and. (trim(sym_str) == 'B3U') ) write(*,*) 'SUCCESS READ SYMMETRY'
rc = trexio_close(trex_file) rc = trexio_close(trex_file)
if (rc == TREXIO_SUCCESS) write(*,*) 'SUCCESS CLOSE' if (rc == TREXIO_SUCCESS) write(*,*) 'SUCCESS CLOSE'