From c1c5a4a8aaa5021b6eb46044d57ad07445c0dc72 Mon Sep 17 00:00:00 2001
From: v1j4y <vijay.gopal.c@gmail.com>
Date: Mon, 27 Sep 2021 18:30:59 +0200
Subject: [PATCH] Provided function to check for MO basis. #32

---
 org/qmckl_mo.org | 15 ++++++++++++++-
 1 file changed, 14 insertions(+), 1 deletion(-)

diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org
index 31da1cd..e13cbc5 100644
--- a/org/qmckl_mo.org
+++ b/org/qmckl_mo.org
@@ -180,6 +180,19 @@ int64_t qmckl_get_mo_basis_mo_num (const qmckl_context context) {
   return ctx->mo_basis.mo_num;
 }
 
+bool qmckl_mo_basis_provided(const qmckl_context context) {
+
+  if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
+    return false;
+  }
+
+  qmckl_context_struct* const ctx = (qmckl_context_struct* const) context;
+  assert (ctx != NULL);
+
+  return ctx->mo_basis.provided;
+}
+
+
    #+end_src
 
 ** Initialization functions
@@ -768,7 +781,7 @@ for (int i=0; i<min_num; ++i) {
 rc = qmckl_set_mo_basis_coefficient(context, &(mo_coefficient[0][0]));
 assert (rc == QMCKL_SUCCESS);
 
-assert(qmckl_ao_basis_provided(context));
+assert(qmckl_mo_basis_provided(context));
 
 //double mo_vgl[5][walk_num][elec_num][chbrclf_ao_num];
 //rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0][0]));