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Compliant with CERT standard

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This commit is contained in:
Anthony Scemama 2021-03-29 01:17:33 +02:00
parent 271c4cfe84
commit a295cfe22e
4 changed files with 17 additions and 27 deletions
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4
src/qmckl_ao.org
View File

@ -10,7 +10,7 @@ Gaussian ($p=2$):
\[ \[
R_s(\mathbf{r}) = \mathcal{N}_s |\mathbf{r}-\mathbf{R}_A|^{n_s} R_s(\mathbf{r}) = \mathcal{N}_s |\mathbf{r}-\mathbf{R}_A|^{n_s}
\sum_{k=1}^{N_{\text{prim}}} a_{ks} \sum_{k=1}^{N_{\text{prim}}} a_{ks}
\exp \left( - \gamma_{ks} | \mathbf{r}-\mathbf{R}_A | ^p \right). | \exp \left( - \gamma_{ks} | \mathbf{r}-\mathbf{R}_A | ^p \right).
\] \]
In the case of Gaussian functions, $n_s$ is always zero. In the case of Gaussian functions, $n_s$ is always zero.
@ -570,7 +570,7 @@ munit_assert_int(0, ==, test_qmckl_ao_polynomial_vgl(context));
| ~context~ | input | Global state | | ~context~ | input | Global state |
| ~X(3)~ | input | Array containing the coordinates of the points | | ~X(3)~ | input | Array containing the coordinates of the points |
| ~R(3)~ | input | Array containing the x,y,z coordinates of the center | | ~R(3)~ | input | Array containing the x,y,z coordinates of the center |
| ~n~ | input | Number of computed gaussians | | ~n~ | input | Number of computed Gaussians |
| ~A(n)~ | input | Exponents of the Gaussians | | ~A(n)~ | input | Exponents of the Gaussians |
| ~VGL(ldv,5)~ | output | Value, gradients and Laplacian of the Gaussians | | ~VGL(ldv,5)~ | output | Value, gradients and Laplacian of the Gaussians |
| ~ldv~ | input | Leading dimension of array ~VGL~ | | ~ldv~ | input | Leading dimension of array ~VGL~ |

17
src/qmckl_context.org
View File

@ -427,9 +427,7 @@ qmckl_context qmckl_context_destroy(const qmckl_context context) {
qmckl_exit_code rc; qmckl_exit_code rc;
rc = qmckl_context_remove_memory(context,ctx); rc = qmckl_context_remove_memory(context,ctx);
/*
assert (rc == QMCKL_SUCCESS); assert (rc == QMCKL_SUCCESS);
*/
ctx->tag = INVALID_TAG; ctx->tag = INVALID_TAG;
@ -442,9 +440,6 @@ qmckl_context qmckl_context_destroy(const qmckl_context context) {
rc = qmckl_free(context,ctx); rc = qmckl_free(context,ctx);
assert (rc == QMCKL_SUCCESS); assert (rc == QMCKL_SUCCESS);
//memset(ctx, 0, sizeof(qmckl_context_struct));
return prev_context; return prev_context;
} }
#+end_src #+end_src
@ -534,7 +529,7 @@ qmckl_exit_code qmckl_context_append_memory(qmckl_context context,
if (alloc == NULL) { if (alloc == NULL) {
ctx->alloc = new_alloc; ctx->alloc = new_alloc;
} else { } else {
while (alloc != NULL) { while (alloc->next != NULL) {
alloc = alloc->next; alloc = alloc->next;
} }
alloc->next = new_alloc; alloc->next = new_alloc;
@ -670,8 +665,8 @@ qmckl_context_update_error(qmckl_context context,
qmckl_error_struct* error = qmckl_error_struct* error =
(qmckl_error_struct*) qmckl_malloc (context, sizeof(qmckl_error_struct)); (qmckl_error_struct*) qmckl_malloc (context, sizeof(qmckl_error_struct));
error->exit_code = exit_code; error->exit_code = exit_code;
strcpy(error->function, function_name); strncpy(error->function, function_name, QMCKL_MAX_FUN_LEN);
strcpy(error->message, message); strncpy(error->message, message, QMCKL_MAX_MSG_LEN);
ctx->error = error; ctx->error = error;
@ -797,8 +792,7 @@ if (x < 0) {
# -*- org-src-preserve-indentation: t # -*- org-src-preserve-indentation: t
#+begin_src python :var table=table-precision :results drawer :exports result #+begin_src python :var table=table-precision :results drawer :exports result
""" This script generates the C and Fortran constants for the error """ This script generates the C and Fortran constants from the org-mode table.
codes from the org-mode table.
""" """
result = [ "#+begin_src c :comments org :tangle (eval h)" ] result = [ "#+begin_src c :comments org :tangle (eval h)" ]
@ -898,8 +892,6 @@ qmckl_exit_code qmckl_context_update_precision(const qmckl_context context, cons
"qmckl_context_update_precision", "qmckl_context_update_precision",
"ctx->fp"); "ctx->fp");
} }
ctx->fp->precision = QMCKL_DEFAULT_PRECISION;
ctx->fp->range = QMCKL_DEFAULT_RANGE; ctx->fp->range = QMCKL_DEFAULT_RANGE;
} }
@ -1037,7 +1029,6 @@ qmckl_exit_code qmckl_context_update_range(const qmckl_context context, const in
} }
ctx->fp->precision = QMCKL_DEFAULT_PRECISION; ctx->fp->precision = QMCKL_DEFAULT_PRECISION;
ctx->fp->range = QMCKL_DEFAULT_RANGE;
} }
ctx->fp->range = range; ctx->fp->range = range;

6
src/qmckl_error.org
View File

@ -151,7 +151,7 @@ void qmckl_string_of_error(qmckl_exit_code error, char string[<<MAX_STRING_LENGT
The text strings are extracted from the previous table. The text strings are extracted from the previous table.
#+NAME:cases #+NAME:cases
#+begin_src python :var table=table-exit-codes :exports none #+begin_src python :var table=table-exit-codes :exports none :noweb yes
""" This script extracts the text associated with the error codes """ This script extracts the text associated with the error codes
from the table. from the table.
""" """
@ -161,7 +161,7 @@ for (text, code, message) in table:
text = text.replace("~","") text = text.replace("~","")
message = message.replace("'",'"') message = message.replace("'",'"')
result += [ f"""case {text}: result += [ f"""case {text}:
message = {message}; strncpy(string,{message},<<MAX_STRING_LENGTH()>>);
break;""" ] break;""" ]
return '\n'.join(result) return '\n'.join(result)
@ -170,11 +170,9 @@ return '\n'.join(result)
# Source # Source
#+begin_src c :comments org :tangle (eval c) :noweb yes #+begin_src c :comments org :tangle (eval c) :noweb yes
void qmckl_string_of_error(qmckl_exit_code error, char string[<<MAX_STRING_LENGTH()>>]) { void qmckl_string_of_error(qmckl_exit_code error, char string[<<MAX_STRING_LENGTH()>>]) {
char* message;
switch (error) { switch (error) {
<<cases()>> <<cases()>>
} }
strncpy(string,message,<<MAX_STRING_LENGTH()>>);
} }
#+end_src #+end_src

17
src/test_qmckl.org
View File

@ -54,7 +54,7 @@ echo "#+begin_src c :tangle no"
for file in $files for file in $files
do do
routine=test_${file%.c} routine=test_${file%.c}
echo " { (char*) \"${routine}\", ${routine}, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL}," echo " { (const char*) \"${routine}\", ${routine}, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL},"
done done
echo "#+end_src" echo "#+end_src"
#+end_src #+end_src
@ -63,11 +63,11 @@ echo "#+end_src"
:results: :results:
#+NAME: calls #+NAME: calls
#+begin_src c :tangle no #+begin_src c :tangle no
{ (char*) "test_qmckl_error", test_qmckl_error, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL}, { (const char*) "test_qmckl_error", test_qmckl_error, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL},
{ (char*) "test_qmckl_context", test_qmckl_context, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL}, { (const char*) "test_qmckl_context", test_qmckl_context, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL},
{ (char*) "test_qmckl_memory", test_qmckl_memory, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL}, { (const char*) "test_qmckl_memory", test_qmckl_memory, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL},
{ (char*) "test_qmckl_distance", test_qmckl_distance, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL}, { (const char*) "test_qmckl_distance", test_qmckl_distance, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL},
{ (char*) "test_qmckl_ao", test_qmckl_ao, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL}, { (const char*) "test_qmckl_ao", test_qmckl_ao, NULL,NULL,MUNIT_TEST_OPTION_NONE,NULL},
#+end_src #+end_src
:end: :end:
@ -91,12 +91,13 @@ int main(int argc, char* argv[MUNIT_ARRAY_PARAM(argc + 1)]) {
static const MunitSuite test_suite = static const MunitSuite test_suite =
{ {
(char*) "", test_suite_tests, NULL, 1, MUNIT_SUITE_OPTION_NONE (const char*) "", test_suite_tests, NULL, 1, MUNIT_SUITE_OPTION_NONE
}; };
int result = munit_suite_main(&test_suite, (void*) "µnit", argc, argv); int result = munit_suite_main(&test_suite, (const void*) "µnit", argc, argv);
muntrace(); muntrace();
return result; return result;
} }
#+end_src #+end_src