From ce1aeb324d45a745a4b5b7313741249b7197e363 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Fri, 20 May 2022 19:57:01 +0200
Subject: [PATCH] Change point API to make it consistent for Python

---
 org/examples.org       |  6 +++---
 org/qmckl_electron.org |  2 +-
 org/qmckl_point.org    | 20 +++++++++++++++-----
 python/src/qmckl.i     |  4 ++++
 4 files changed, 23 insertions(+), 9 deletions(-)

diff --git a/org/examples.org b/org/examples.org
index c1002b2..eef87b4 100644
--- a/org/examples.org
+++ b/org/examples.org
@@ -101,10 +101,10 @@ point = []
 for x in linspace[0]:
     for y in linspace[1]:
         for z in linspace[2]:
-            point += [x, y, z]
+            point += [ [x, y, z] ]
 
-#point = np.array(point)
-qmckl.set_point(context, 'N', point, len(point)/3)
+point = np.array(point)
+qmckl.set_point(context, 'N', len(point), point)
    #+end_src
 
    #+RESULTS:
diff --git a/org/qmckl_electron.org b/org/qmckl_electron.org
index c0c0254..a4736cc 100644
--- a/org/qmckl_electron.org
+++ b/org/qmckl_electron.org
@@ -718,7 +718,7 @@ qmckl_set_electron_coord(qmckl_context context,
   ctx->electron.coord_old  = ctx->electron.coord_new ;
 
   qmckl_exit_code rc;
-  rc = qmckl_set_point(context, transp, coord, size_max/3);
+  rc = qmckl_set_point(context, transp, size_max/3, coord, size_max);
   assert (rc == QMCKL_SUCCESS);
 
   ctx->electron.coord_new  = ctx->point.coord ;
diff --git a/org/qmckl_point.org b/org/qmckl_point.org
index 74a1e6a..306502f 100644
--- a/org/qmckl_point.org
+++ b/org/qmckl_point.org
@@ -263,8 +263,9 @@ end interface
    #+begin_src c :comments org :tangle (eval h_func)
 qmckl_exit_code qmckl_set_point (qmckl_context context,
                                  const char transp,
+                                 const int64_t num,
                                  const double* coord,
-                                 const int64_t num);
+                                 const int64_t size_max);
    #+end_src
 
    Copy a sequence of ~num~ points $(x,y,z)$ into the context.
@@ -273,14 +274,22 @@ qmckl_exit_code qmckl_set_point (qmckl_context context,
 qmckl_exit_code
 qmckl_set_point (qmckl_context context,
                  const char transp,
+                 const int64_t num,
                  const double* coord,
-                 const int64_t num)
+                 const int64_t size_max)
 {
 
   if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
     return QMCKL_NULL_CONTEXT;
   }
 
+  if (size_max < 3*num) {
+      return qmckl_failwith( context,
+                             QMCKL_INVALID_ARG_4,
+                             "qmckl_set_point",
+                             "Array too small");
+  }
+
   if (transp != 'N' && transp != 'T') {
     return qmckl_failwith( context,
                            QMCKL_INVALID_ARG_2,
@@ -349,7 +358,7 @@ qmckl_set_point (qmckl_context context,
    #+begin_src f90 :comments org :tangle (eval fh_func) :noweb yes
 interface
   integer(c_int32_t) function qmckl_set_point(context, &
-       transp, coord, num) bind(C)
+       transp, num, coord, size_max) bind(C)
     use, intrinsic :: iso_c_binding
     import
     implicit none
@@ -358,6 +367,7 @@ interface
     character(c_char)   , intent(in)  , value :: transp
     real    (c_double ) , intent(in)          :: coord(*)
     integer (c_int64_t) , intent(in)  , value :: num
+    integer (c_int64_t) , intent(in)  , value :: size_max
   end function
 end interface
    #+end_src
@@ -380,7 +390,7 @@ double coord3[point_num*3];
 rc = qmckl_get_point (context, 'N', coord2, (point_num*3));
 assert(rc == QMCKL_NOT_PROVIDED);
 
-rc = qmckl_set_point (context, 'N', coord, point_num);
+rc = qmckl_set_point (context, 'N', point_num, coord, (point_num*3));
 assert(rc == QMCKL_SUCCESS);
 
 int64_t n;
@@ -404,7 +414,7 @@ for (int64_t i=0 ; i<point_num ; ++i) {
   assert( coord[3*i+2] == coord2[i+point_num*2] );
 }
 
-rc = qmckl_set_point (context, 'T', coord2, point_num);
+rc = qmckl_set_point (context, 'T', point_num, coord2, (point_num*3));
 assert(rc == QMCKL_SUCCESS);
 
 rc = qmckl_get_point (context, 'N', coord3, (point_num*3));
diff --git a/python/src/qmckl.i b/python/src/qmckl.i
index bbc450a..e8b2d89 100644
--- a/python/src/qmckl.i
+++ b/python/src/qmckl.i
@@ -48,6 +48,10 @@ import_array();
 /* Include typemaps generated by the process_header.py script */
 %include "qmckl_include.i"
 
+/* Handle properly get_point */
+
+
+
 /* exception.i is a generic (language-independent) module */
 %include "exception.i"