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Merge pull request #11 from TREX-CoE/consecutive-test

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consecutive testing for hdf5; fixes #10
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Evgeny Posenitskiy 2021-03-02 11:45:22 +01:00 committed by GitHub
commit c3fd60fd6d
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2 changed files with 5 additions and 16 deletions
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1
src/Makefile
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@ -44,7 +44,6 @@ libtrio.so: $(OBJECT_FILES) $(HEADER_FILES)
test: libtrio.so test.c
$(CC) $(CFLAGS) $(INCLUDE) -Wl,-rpath,$(PWD) -L. test.c -ltrio $(LIBS) -o test
rm test_write.h5
clean:
rm -f *.o libtrio.so test test_write.h5

20
src/test.c
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@ -29,8 +29,6 @@ int test_h5write() {
uint64_t num = 12;
//double charge[12] = {6., 6., 6., 6., 6., 6., 1., 1., 1., 1., 1., 1.};
double coord[36] = {
0.00000000 , 1.39250319 , 0.00000000 ,
-1.20594314 , 0.69625160 , 0.00000000 ,
@ -50,15 +48,14 @@ int test_h5write() {
// works: try writing info in an empty file
rc = trio_write_nucleus_num(file,num);
// rc = trio_write_nucleus_charge(file,charge);
rc = trio_write_nucleus_coord(file,coord);
// should not work: try to rewrite the nucleus_num
rc = trio_write_nucleus_num(file,25);
// works: try to rewrite the nucleus_coord
// coord[0] = 666.0;
// rc = trio_write_nucleus_coord(file,coord);
coord[0] = 666.666;
rc = trio_write_nucleus_coord(file,coord);
if (rc == TRIO_SUCCESS) {
@ -73,25 +70,18 @@ int test_h5write() {
}
int test_h5read() {
const char* file_name = "test.h5";
const char* file_name = "test_write.h5";
trio_t* file = NULL;
trio_exit_code rc;
uint64_t num;
//double* charge;
double* coord;
file = trio_create(file_name, TRIO_HDF5);
rc = trio_read_nucleus_num(file,&num);
assert (num == 4);
/*
charge = (double*) calloc(num, sizeof(double));
rc = trio_read_nucleus_charge(file,charge);
assert(charge[] == 1.);
*/
assert (num == 12);
coord = (double*) calloc(3*num, sizeof(double));
rc = trio_read_nucleus_coord(file,coord);
@ -100,7 +90,7 @@ int test_h5read() {
printf("%lf \n", coord[i]);
}*/
double x = coord[0] - 1.2;
double x = coord[30] - 2.14171677;
assert( x*x < 1.e-12);
if (rc == TRIO_SUCCESS) {