From 02d2561d73405fb026046851ff50ea850c318523 Mon Sep 17 00:00:00 2001
From: q-posev <posenitskiy@irsamc.ups-tlse.fr>
Date: Fri, 4 Jun 2021 15:36:56 +0200
Subject: [PATCH] add tests for string attributes

---
 tests/test.c   | 16 +++++++++++++++-
 tests/test.f90 | 20 ++++++++++++++++----
 2 files changed, 31 insertions(+), 5 deletions(-)

diff --git a/tests/test.c b/tests/test.c
index 962f569..9c2dc62 100644
--- a/tests/test.c
+++ b/tests/test.c
@@ -70,6 +70,7 @@ int test_h5write() {
     strcat(labelxxx,TREXIO_DELIM);
   }
 
+  const char* sym = "B3U";
 /*================= START OF TEST ==================*/
 
   // open file in 'write' mode
@@ -93,6 +94,8 @@ int test_h5write() {
   rc = trexio_write_nucleus_label(file,labelxxx, 4);
   assert (rc == TREXIO_SUCCESS);
 
+  rc = trexio_write_nucleus_symmetry(file, sym);
+  assert (rc == TREXIO_SUCCESS);
   // check if the written data exists in the file
   rc = trexio_has_nucleus_num(file);
   assert (rc == TREXIO_SUCCESS);
@@ -100,6 +103,8 @@ int test_h5write() {
   assert (rc == TREXIO_SUCCESS);
   rc = trexio_has_nucleus_label(file);
   assert (rc == TREXIO_SUCCESS);
+  rc = trexio_has_nucleus_symmetry(file);
+  assert (rc == TREXIO_SUCCESS);
 
   // should not work: try to overwrite the nucleus_num
   rc = trexio_write_nucleus_num(file,25);
@@ -144,6 +149,7 @@ int test_h5read() {
   double* coord;
   char** label;
   char* labelxxx;
+  char* symmetry;
 
 /*================= START OF TEST ==================*/
 
@@ -171,7 +177,7 @@ int test_h5read() {
     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,label);
@@ -185,6 +191,14 @@ int test_h5read() {
   pch = strtok(NULL, TREXIO_DELIM);
   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
   rc = trexio_close(file);
   assert (rc == TREXIO_SUCCESS);
diff --git a/tests/test.f90 b/tests/test.f90
index b32019e..7386108 100644
--- a/tests/test.f90
+++ b/tests/test.f90
@@ -23,6 +23,7 @@ subroutine test_write()
   double precision :: coord(3,12)
 
   character(len=:), allocatable :: label_str
+  character(len=:), allocatable :: sym_str
   character(len=4):: label(12)
 
   ! 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_str=''
+  label_str = ''
   do i = 1,num
-    label_str=label_str//trim(label(i))//TREXIO_DELIM
+    label_str = label_str // trim(label(i)) // TREXIO_DELIM
   enddo
 
-
+  sym_str = 'B3U with some juice' // c_null_char
 ! ================= START OF TEST ===================== !
 
 !  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'
   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)
   if (rc == TREXIO_SUCCESS) write(*,*) 'SUCCESS HAS 1'
   rc = trexio_has_nucleus_coord(trex_file)
@@ -117,10 +122,13 @@ subroutine test_read()
 
   double precision :: charge(12)
   double precision :: coord(3,12)
+
   character :: label_str(128)
   character(len=4) :: tmp_str
   character(len=4) :: label(12)
 
+  character(len=32) :: sym_str
+
   character*(128) :: str
 
   num = 12
@@ -167,7 +175,11 @@ subroutine test_read()
   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)
   if (rc == TREXIO_SUCCESS) write(*,*) 'SUCCESS CLOSE'