// text: requires position and string arguments
// optional: keyword argument size = float
static PyObject *graphics_text(PyObject *self, PyObject *args, PyObject *keywds) {
int id;
PyObject *v;
float arr[3];
char *text;
float size = 1.0f;
static char *kwlist[] = {
(char *)"id", (char *)"pos", (char *)"text", (char *)"size", NULL
};
if (!PyArg_ParseTupleAndKeywords(args, keywds, (char *)"iOs|f:graphics.text", kwlist,
&id, &v, &text, &size))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
if (!py_array_from_obj(v, arr))
return NULL;
int result = mol->add_text(arr, text, size);
return PyInt_FromLong(result);
}
// cylinder: require two vertices
// optional keywords, radius, resolution, filled
static PyObject *graphics_cylinder(PyObject *self, PyObject *args, PyObject *keywds) {
int id;
PyObject *v1, *v2;
float radius = 1.0;
int resolution = 6;
int filled = 0;
float vert1[3], vert2[3];
static char *kwlist[] = {
(char *)"id", (char *)"v1", (char *)"v2", (char *)"radius",
(char *)"resolution", (char *)"filled", NULL
};
if (!PyArg_ParseTupleAndKeywords(args, keywds, (char *)"iOO|fii:graphics.cylinder", kwlist,
&id, &v1, &v2, &radius, &resolution, &filled))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
if (!py_array_from_obj(v1, vert1) ||
!py_array_from_obj(v2, vert2))
return NULL;
int result = mol->add_cylinder(vert1, vert2, (float)radius, resolution,
filled);
return PyInt_FromLong(result);
}
// delete: takes either an integer argument, which is the index to delete,
// or a string argument "all", which deletes everything
// returns nothing
static PyObject *graphics_delete(PyObject *self, PyObject *args) {
int id;
PyObject *obj;
if (!PyArg_ParseTuple(args, (char *)"iO:graphics.delete", &id, &obj))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
if (PyInt_Check(obj)) {
int index = PyInt_AsLong(obj);
mol->delete_id(index);
} else if (PyString_Check(obj)) {
char *s = PyString_AsString(obj);
if (!strcmp(s, "all"))
mol->delete_all();
else {
PyErr_SetString(PyExc_ValueError, (char *)"delete: invalid value");
return NULL;
}
}
Py_INCREF(Py_None);
return Py_None;
}
// 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;
}
// sphere: center (tuple), radius (float), resolution (integer)
static PyObject *graphics_sphere(PyObject *self, PyObject *args, PyObject *keywds) {
int id;
PyObject *center = NULL;
float radius = 1; // default value
int resolution = 6; // default value
float arr[3]; // default will be 0,0,0
static char *kwlist[] = {
(char *)"id",(char *)"center", (char *)"radius", (char *)"resolution", NULL
};
if (!PyArg_ParseTupleAndKeywords(args, keywds, (char *)"i|Ofi:graphics.sphere", kwlist,
&id, ¢er, &radius, &resolution))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
if (center == NULL) {
// no center set, so use 0,0,0
arr[0] = arr[1] = arr[2] = 0.0f;
} else {
// try to get center from the passed in object
if (!py_array_from_obj(center, arr))
return NULL;
}
int result = mol->add_sphere(arr, radius, resolution);
return PyInt_FromLong(result);
}
// materials: this just turns materials on or off. Takes an integer
static PyObject *graphics_materials(PyObject *self, PyObject *args) {
int id;
int onoff;
if (!PyArg_ParseTuple(args, (char *)"ii:graphics.materials", &id, &onoff))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
int result = mol->use_materials(onoff);
return PyInt_FromLong(result);
}
// replace: delete the given id and have the next element replace this one
static PyObject *graphics_replace(PyObject *self, PyObject *args) {
int id;
int index;
if (!PyArg_ParseTuple(args, (char *)"ii:graphics.replace", &id, &index))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
mol->replace_id(index);
Py_INCREF(Py_None);
return Py_None;
}
// info: return a string describing the graphics object with the given index
// if out of range, or the object no longer exists, raise IndexError
static PyObject *graphics_info(PyObject *self, PyObject *args) {
int id;
int index;
if (!PyArg_ParseTuple(args, (char *)"ii:graphics.info", &id, &index))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
if (mol->index_id(index) == -1) {
PyErr_SetString(PyExc_IndexError, "Invalid graphics object");
return NULL;
}
const char *info = mol->info_id(index);
return PyString_FromString(info);
}
// point: one vertex
static PyObject *graphics_point(PyObject *self, PyObject *args) {
int id;
PyObject *v;
float vert[3];
if (!PyArg_ParseTuple(args, (char *)"iO:graphics.point", &id, &v))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
if (!py_array_from_obj(v, vert))
return NULL;
int result = mol->add_point(vert);
return PyInt_FromLong(result);
}
// material(name)
static PyObject *graphics_material(PyObject *self, PyObject *args) {
int id;
char *name;
if (!PyArg_ParseTuple(args, (char *)"is:graphics.material", &id, &name))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
MaterialList *mlist = get_vmdapp()->materialList;
int matindex = mlist->material_index(name);
if (matindex < 0) {
PyErr_SetString(PyExc_ValueError, (char *)"Invalid material name");
return NULL;
}
int result = mol->use_material(mlist->material(matindex));
return PyInt_FromLong(result);
}
// line: two vertices
// optional: style = "solid" | "dashed"
// width is an integer
static PyObject *graphics_line(PyObject *self, PyObject *args, PyObject *keywds) {
int id;
PyObject *v1, *v2;
float vert1[3], vert2[3];
int width = 1;
char *style = NULL;
int line_style = ::SOLIDLINE;
static char *kwlist[] = {
(char *)"id", (char *)"v1", (char *)"v2", (char *)"style", (char *)"width",
NULL
};
if (!PyArg_ParseTupleAndKeywords(args, keywds, (char *)"iOO|si:graphics.line", kwlist,
&id, &v1, &v2, &style, &width))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
if (!py_array_from_obj(v1, vert1) ||
!py_array_from_obj(v2, vert2))
return NULL;
if (style) {
if (!strcmp(style, "solid"))
line_style = ::SOLIDLINE;
else if (!strcmp(style, "dashed"))
line_style = ::DASHEDLINE;
else {
PyErr_SetString(PyExc_ValueError, (char *)"invalid line style");
return NULL;
}
}
// don't check the line width; I don't know what values different display
// devices will accept
int result = mol->add_line(vert1, vert2, line_style, width);
return PyInt_FromLong(result);
}
// triangle: three vertices as tuples
static PyObject *graphics_triangle(PyObject *self, PyObject *args) {
int id;
PyObject *v1, *v2, *v3;
float arr1[3], arr2[3], arr3[3];
if (!PyArg_ParseTuple(args, (char *)"iOOO:graphics.triangle", &id, &v1, &v2, &v3))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
if (!py_array_from_obj(v1, arr1) ||
!py_array_from_obj(v2, arr2) ||
!py_array_from_obj(v3, arr3))
return NULL;
int result = mol->add_triangle(arr1, arr2, arr3);
return PyInt_FromLong(result);
}
// list: return a list of the valid graphics objects
static PyObject *graphics_listall(PyObject *self, PyObject *args) {
int id;
if (!PyArg_ParseTuple(args, (char *)"i:graphics.listall", &id))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
PyObject *newlist = PyList_New(0);
int num = mol->num_elements();
for (int i=0; i<num; i++) {
int index = mol->element_id(i);
if (index >= 0) {
if (PyList_Append(newlist, PyInt_FromLong(index)) < 0)
return NULL;
}
}
return newlist;
}
// trinorm: three vertices, followed by three normals
static PyObject *graphics_trinorm(PyObject *self, PyObject *args) {
int id;
PyObject *v1, *v2, *v3, *n1, *n2, *n3;
float vert1[3], vert2[3], vert3[3], norm1[3], norm2[3], norm3[3];
if (!PyArg_ParseTuple(args, (char *)"iOOOOOO:graphics.trinorm", &id, &v1, &v2, &v3, &n1, &n2, &n3))
return NULL;
MoleculeGraphics *mol = mol_from_id(id);
if (!mol)
return NULL;
if (!py_array_from_obj(v1, vert1) ||
!py_array_from_obj(v2, vert2) ||
!py_array_from_obj(v3, vert3) ||
!py_array_from_obj(n1, norm1) ||
!py_array_from_obj(n2, norm2) ||
!py_array_from_obj(n2, norm3))
return NULL;
int result = mol->add_trinorm(vert1,vert2,vert3,norm1,norm2,norm3);
return PyInt_FromLong(result);
}
// already parsed the "graphics" and "number" terms, what remains are
// add, delete, info, and list
static int tcl_graphics(VMDApp *app, int molid, int argc, const char *argv[],
Tcl_Interp *interp)
{
// Is this a graphics molecule?
Molecule *mol = app->moleculeList->mol_from_id(molid);
if (mol == NULL) {
Tcl_SetResult(interp, (char *) "graphics: invalid graphics molecule", TCL_STATIC);
return TCL_ERROR;
}
if (argc < 1) {
Tcl_SetResult(interp, (char *) "graphics: not enough parameters", TCL_STATIC);
return TCL_ERROR;
}
MoleculeGraphics *gmol = mol->moleculeGraphics();
// what am I to do?
if (!strcmp(argv[0], "list")) {
if (argc != 1) {
Tcl_SetResult(interp, (char *) "graphics: list takes no parameters", TCL_STATIC);
return TCL_ERROR;
}
int num = gmol->num_elements();
for (int i=0; i<num; i++) {
int id = gmol->element_id(i);
if (id >=0) {
char s[10];
sprintf(s, "%d", id);
Tcl_AppendElement(interp, s);
}
}
return TCL_OK;
}
// all the rest take more than one parameter
if (argc < 2) {
Tcl_SetResult(interp, (char *) "graphics: not enough parameters", TCL_STATIC);
return TCL_ERROR;
}
if (!strcmp(argv[0], "triangle")) {
return tcl_graphics_triangle(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "trinorm")) {
return tcl_graphics_trinorm(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "tricolor")) {
return tcl_graphics_tricolor(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "point")) {
return tcl_graphics_point(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "pickpoint")) {
return tcl_graphics_pickpoint(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "line")) {
return tcl_graphics_line(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "cylinder")) {
return tcl_graphics_cylinder(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "cone")) {
return tcl_graphics_cone(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "sphere")) {
return tcl_graphics_sphere(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "text")) {
return tcl_graphics_text(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "materials")) {
return tcl_graphics_materials(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "material")) {
return tcl_graphics_material(gmol, argc-1, argv+1, interp,
app->materialList);
}
if (!strcmp(argv[0], "color") || !strcmp(argv[1], "colour")) {
return tcl_graphics_color(app, gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "delete")) {
return tcl_graphics_delete(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "exists")) {
return tcl_graphics_exists(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "replace")) {
return tcl_graphics_replace(gmol, argc-1, argv+1, interp);
}
if (!strcmp(argv[0], "info")) {
return tcl_graphics_info(gmol, argc-1, argv+1, interp);
}
Tcl_AppendResult(interp, "graphics: don't understand the command: ",
argv[0], NULL);
return TCL_ERROR;
}
