Changeset 112f54c in sasview for realSpaceModeling/pointsmodelpy/pointsmodelpymodule

Timestamp:

Dec 31, 2009 6:22:55 PM (15 years ago)

Author:

Mathieu Doucet <doucetm@…>

Branches:

master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

7e8601f

Parents:

adbb821

Message:

real_space_modeling: added method to return P(r) as two lists

Location:

realSpaceModeling/pointsmodelpy/pointsmodelpymodule

Files:

• bindings.cc (modified) (1 diff)
• misc.cc (modified) (1 diff)
• misc.h (modified) (1 diff)

realSpaceModeling/pointsmodelpy/pointsmodelpymodule/bindings.cc

@@ -129 +129 @@
      METH_VARARGS, pypointsmodelpy_get_complex_iq__doc__},
 
-    //outputPR
-    {pypointsmodelpy_outputPR__name__, pypointsmodelpy_outputPR,
-     METH_VARARGS, pypointsmodelpy_outputPR__doc__},
+     //outputPR
+     {pypointsmodelpy_outputPR__name__, pypointsmodelpy_outputPR,
+      METH_VARARGS, pypointsmodelpy_outputPR__doc__},
+
+    //getPR
+    {pypointsmodelpy_getPR__name__, pypointsmodelpy_getPR,
+     METH_VARARGS, pypointsmodelpy_getPR__doc__},
 
     //outputPR_xy

realSpaceModeling/pointsmodelpy/pointsmodelpymodule/misc.cc

@@ -673 +673 @@
 }
 
+
+//method get_pr()
+char pypointsmodelpy_getPR__name__[] = "get_pr";
+char pypointsmodelpy_getPR__doc__[] = "Return P(r) as a list of points";
+
+PyObject * pypointsmodelpy_getPR(PyObject *, PyObject *args)
+{
+  PyObject *pymodel = 0;
+  char *outfile;
+  int ok = PyArg_ParseTuple(args, "O", &pymodel);
+  if(!ok) return NULL;
+
+  void *temp = PyCObject_AsVoidPtr(pymodel);
+
+  LORESModel * thislores = static_cast<LORESModel *>(temp);
+
+  // Get the P(r) array
+  Array2D<double> pr_ = thislores->GetPr();
+
+  // Create two lists to store the r and P(r) values
+  PyObject* r_list  = PyList_New(0);
+  PyObject* pr_list = PyList_New(0);
+
+  double sum = 0.0;
+  double r_stepsize = 1.0;
+  if (pr_.dim1()>2) r_stepsize = pr_[1][0] - pr_[0][0];
+
+  for (int i = 0;  i < pr_.dim1(); ++i){
+          sum += pr_[i][1]*r_stepsize;
+  }
+
+  for (int i = 0;  i < pr_.dim1(); ++i){
+          if (pr_[i][1]==0) continue;
+          int r_append  = PyList_Append(r_list, Py_BuildValue("d", pr_[i][0]));
+          int pr_append = PyList_Append(pr_list, Py_BuildValue("d", pr_[i][1]/sum));
+          if (r_append+pr_append<0) return NULL;
+  }
+
+  return Py_BuildValue("OO", r_list, pr_list);
+}
+
+
+
 //method outputPR_xy(string filename)
 char pypointsmodelpy_outputPR_xy__name__[] = "outputPR_xy";

realSpaceModeling/pointsmodelpy/pointsmodelpymodule/misc.h

@@ -200 +200 @@
 PyObject * pypointsmodelpy_outputPR(PyObject *, PyObject *);
 
+//method get_pr()
+extern char pypointsmodelpy_getPR__name__[];
+extern char pypointsmodelpy_getPR__doc__[];
+extern "C"
+PyObject * pypointsmodelpy_getPR(PyObject *, PyObject *);
+
+
 // method outputPR_xy
 extern char pypointsmodelpy_outputPR_xy__name__[];