Пример #1
0
// colors: Takes one argument, either a tuple of three floats, a string 
// color name, or an integer color index 
static PyObject *graphics_color(PyObject *self, PyObject *args) {
  int id;
  PyObject *obj;
  int result = -1;
  
  if (!PyArg_ParseTuple(args, (char *)"iO:graphics.color", &id, &obj))
    return NULL;

  MoleculeGraphics *mol = mol_from_id(id);
  if (!mol) 
    return NULL;
  
  if (PyInt_Check(obj)) {
    int index = PyInt_AsLong(obj);
    if (index >= 0 && index < MAXCOLORS) 
      result = mol->use_color(index);

  } else if (PyString_Check(obj)) { 
    char *name = PyString_AsString(obj);
    VMDApp *app = get_vmdapp();
    int index = app->color_index(name);
    if (index >= 0) 
      result = mol->use_color(index);
  }

  if (result >= 0)
    return PyInt_FromLong(result);

  PyErr_SetString(PyExc_ValueError, (char *)"Invalid color");
  return NULL;
}  
Пример #2
0
static PyObject *set_colors(PyObject *self, PyObject *args) {
  PyObject *newdict;
  if (!PyArg_ParseTuple(args, (char *)"O!", &PyDict_Type, &newdict))
    return NULL;

  VMDApp *app = get_vmdapp();
  PyObject *keys = PyDict_Keys(newdict);
  PyObject *vals = PyDict_Values(newdict);
  int error = 0;
  for (int i=0; i<PyList_Size(keys); i++) {
    char *keyname = PyString_AsString(PyList_GET_ITEM(keys, i));
    if (PyErr_Occurred()) {
      error = 1;
      break;
    }
    if (app->color_index(keyname) < 0) {
      PyErr_SetString(PyExc_ValueError, (char *)"Unknown color");
      error = 1;
      break;
    }
    PyObject *newtuple = PyList_GET_ITEM(vals, i);
    if (!PyTuple_Check(newtuple) || PyTuple_Size(newtuple) != 3) {
      PyErr_SetString(PyExc_ValueError, (char *)"color definition must be 3-tuple of floats");
      error = 1;
      break;
    }
    float rgb[3];
    for (int j=0; j<3; j++) 
      rgb[j] = (float)PyFloat_AsDouble(PyTuple_GET_ITEM(newtuple, j));
    if (PyErr_Occurred()) {
      error = 1;
      break;
    }
    app->color_changevalue(keyname, rgb[0], rgb[1], rgb[2]);
  }
  Py_DECREF(keys);
  Py_DECREF(vals);
  if (error)
    return NULL;

  Py_INCREF(Py_None);
  return Py_None;
}
Пример #3
0
static PyObject* py_set_colors(PyObject *self, PyObject *args, PyObject *kwargs)
{
  PyObject *newdict, *newtuple, *keys, *vals;
  const char *kwnames[] = {"colors", NULL};
  PyObject *retval = NULL;
  char *keyname;
  float rgb[3];
  VMDApp *app;

  if (!PyArg_ParseTupleAndKeywords(args, kwargs, "O!:color.set_colors",
                                   (char**) kwnames, &PyDict_Type, &newdict))
    return NULL;

  if (!(app = get_vmdapp()))
    return NULL;

  keys = PyDict_Keys(newdict);
  vals = PyDict_Values(newdict);

  for (int i=0; i<PyList_Size(keys); i++) {
    // Get color name from input dictionary
    keyname = as_charptr(PyList_GetItem(keys, i));
    if (PyErr_Occurred())
        goto cleanup;

    // Check this color name actually exists
    if (app->color_index(keyname) < 0) {
      PyErr_Format(PyExc_ValueError, "Unknown color '%s'", keyname);
      goto cleanup;
    }

    // Unpack value tuples into 3 floats
    newtuple = PyList_GetItem(vals, i);
    if (!PyTuple_Check(newtuple) || PyTuple_Size(newtuple) != 3) {
      PyErr_SetString(PyExc_ValueError,
                      "color definition must be 3-tuple of floats");
      goto cleanup;
    }

    for (int j=0; j<3; j++) {
      rgb[j] = (float)PyFloat_AsDouble(PyTuple_GET_ITEM(newtuple, j));

      if (PyErr_Occurred()) {
        PyErr_SetString(PyExc_ValueError, "color definition must be floats");
        goto cleanup;
      }
    }

    // Finally actually change the color
    app->color_change_rgb(keyname, rgb[0], rgb[1], rgb[2]);
  }
  retval = Py_None;

  // Getting the keys and values from the dictionary makes a new reference.
  // We tell Python we're done with it so as to not leak memory.
  // This needs to happen even if there was a problem setting color, which is
  // why we don't return NULL from the error checking statements above.
cleanup:
  Py_DECREF(keys);
  Py_DECREF(vals);

  Py_XINCREF(retval);
  return retval;
}