{
GLfloat *c, *s;
int n, i;
- float nx, ny, nz;
GLfloat d[3], v[3], w[3];
- Vector p1, p2;
+ Vector p1, nv;
n = setSinCache(sect);
if (n <= 0)
return;
if (getOrthogonalVectors(d, v, w) == 0)
return;
glBegin(GL_TRIANGLE_FAN);
- glVertex3f(a[0], a[1], a[2]);
- p1.x = b[0] + r * (v[0] * c[0] + w[0] * s[0]);
- p1.y = b[1] + r * (v[1] * c[0] + w[1] * s[0]);
- p1.z = b[2] + r * (v[2] * c[0] + w[2] * s[0]);
- glVertex3f(p1.x, p1.y, p1.z);
- for (i = 1; i <= n; i++) {
- p2.x = b[0] + r * (v[0] * c[i] + w[0] * s[i]);
- p2.y = b[1] + r * (v[1] * c[i] + w[1] * s[i]);
- p2.z = b[2] + r * (v[2] * c[i] + w[2] * s[i]);
- nx = p1.x + p2.x - b[0] * 2;
- ny = p1.y + p2.y - b[1] * 2;
- nz = p1.z + p2.z - b[2] * 2;
- glNormal3f(nx, ny, nz);
- glVertex3f(p2.x, p2.y, p2.z);
- p1 = p2;
+ nv.x = d[0];
+ nv.y = d[1];
+ nv.z = d[2];
+ NormalizeVec(&nv, &nv);
+ glNormal3f(nv.x, nv.y, nv.z);
+ glVertex3f(b[0], b[1], b[2]);
+ for (i = 0; i <= n; i++) {
+ nv.x = v[0] * c[i] + w[0] * s[i];
+ nv.y = v[1] * c[i] + w[1] * s[i];
+ nv.z = v[2] * c[i] + w[2] * s[i];
+ glNormal3f(nv.x, nv.y, nv.z);
+ p1.x = a[0] + r * nv.x;
+ p1.y = a[1] + r * nv.y;
+ p1.z = a[2] + r * nv.z;
+ glNormal3f(nv.x, nv.y, nv.z);
+ glVertex3f(p1.x, p1.y, p1.z);
}
glEnd();
if (closed) {
glBegin(GL_TRIANGLE_FAN);
glNormal3f(d[0], d[1], d[2]);
for (i = 0; i <= n; i++) {
- p2.x = b[0] + r * (v[0] * c[i] + w[0] * s[i]);
- p2.y = b[1] + r * (v[1] * c[i] + w[1] * s[i]);
- p2.z = b[2] + r * (v[2] * c[i] + w[2] * s[i]);
- glVertex3f(p2.x, p2.y, p2.z);
+ p1.x = a[0] + r * (v[0] * c[i] + w[0] * s[i]);
+ p1.y = a[1] + r * (v[1] * c[i] + w[1] * s[i]);
+ p1.z = a[2] + r * (v[2] * c[i] + w[2] * s[i]);
+ glVertex3f(p1.x, p1.y, p1.z);
}
glEnd();
}
static void
drawGraphics(MainView *mview)
{
- int i, j, n;
+ int i, j;
MainViewGraphic *g;
for (i = 0; i < mview->ngraphics; i++) {
g = &mview->graphics[i];
+ if (g->visible == 0)
+ continue;
glMaterialfv(GL_FRONT_AND_BACK, GL_DIFFUSE, g->rgba);
switch (g->kind) {
case kMainViewGraphicLine:
glDisable(GL_LIGHTING);
glColor4fv(g->rgba);
- glBegin(GL_LINES);
- n = g->npoints;
- if (n % 2 == 1)
- n--;
- for (j = 0; j < n; j++)
+ glBegin(GL_LINE_STRIP);
+ for (j = 0; j < g->npoints; j++) {
+ if (g->points[j * 3] >= kInvalidFloat)
+ break;
glVertex3fv(&g->points[j * 3]);
+ }
glEnd();
glEnable(GL_LIGHTING);
break;
- case kMainViewGraphicPoly:
+ case kMainViewGraphicPoly: {
+ Vector v0, v1, v2, v3;
glBegin(GL_TRIANGLE_FAN);
- for (j = 0; j < g->npoints; j++)
+ v1.x = g->points[0] - g->points[g->npoints - 3];
+ v1.y = g->points[1] - g->points[g->npoints - 2];
+ v1.z = g->points[2] - g->points[g->npoints - 1];
+ v0 = v1;
+ for (j = 0; j < g->npoints; j++) {
+ v2.x = g->points[j * 3 + 3] - g->points[j * 3];
+ v2.y = g->points[j * 3 + 4] - g->points[j * 3 + 1];
+ v2.z = g->points[j * 3 + 5] - g->points[j * 3 + 2];
+ VecCross(v3, v1, v2);
+ if (NormalizeVec(&v3, &v3) == 0)
+ glNormal3f(v3.x, v3.y, v3.z);
glVertex3fv(&g->points[j * 3]);
- if (g->closed)
+ v1 = v2;
+ }
+ if (g->closed) {
+ VecCross(v3, v1, v0);
+ if (NormalizeVec(&v3, &v3) == 0)
+ glNormal3f(v3.x, v3.y, v3.z);
glVertex3fv(g->points);
+ }
glEnd();
break;
+ }
case kMainViewGraphicCylinder:
- drawCylinder(g->points, g->points + 3, g->points[6], 6, g->closed);
+ drawCylinder(g->points, g->points + 3, g->points[6], 15, g->closed);
break;
case kMainViewGraphicCone:
- drawCone(g->points, g->points + 3, g->points[6], 6, g->closed);
+ drawCone(g->points, g->points + 3, g->points[6], 15, g->closed);
break;
case kMainViewGraphicEllipsoid:
- drawEllipsoid(g->points, g->points + 3, g->points + 6, g->points + 9, 6);
+ drawEllipsoid(g->points, g->points + 3, g->points + 6, g->points + 9, 8);
break;
}
}
static void
drawLabels(MainView *mview)
{
- Transform *trp;
+/* Transform *trp; */
Atom *ap;
LabelRecord *lp;
int i, nlabels;
/*
* call-seq:
+ * set_name(string) -> self
+ *
+ * Set the name of an untitled molecule. If the molecule is not associated with window
+ * or it already has an associated file, then exception is thrown.
+ */
+static VALUE
+s_Molecule_SetName(VALUE self, VALUE nval)
+{
+ Molecule *mol;
+ Data_Get_Struct(self, Molecule, mol);
+ if (MoleculeCallback_setDisplayName(mol, StringValuePtr(nval)))
+ rb_raise(rb_eMolbyError, "Cannot change the window title");
+ return self;
+}
+
+
+/*
+ * call-seq:
* path -> String
*
* Returns the full path name of the molecule, if it is associated with a file.
/*
* call-seq:
+ * make_front
+ *
+ * Make the window frontmost if this molecule is bound to a view. Otherwise do nothing.
+ */
+static VALUE
+s_Molecule_MakeFront(VALUE self)
+{
+ Molecule *mol;
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview != NULL)
+ MainViewCallback_makeFront(mol->mview);
+ return Qnil;
+}
+
+/*
+ * call-seq:
* update_enabled? -> bool
*
* Returns true if screen update is enabled; otherwise no.
/*
* call-seq:
+ * get_view_rotation -> [[ax, ay, az], angle]
+ *
+ * Get the current rotation for the view. Angle is in degree, not radian.
+ */
+static VALUE
+s_Molecule_GetViewRotation(VALUE self)
+{
+ Molecule *mol;
+ float f[4];
+ Vector v;
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview == NULL)
+ return Qnil;
+ TrackballGetRotate(mol->mview->track, f);
+ v.x = f[1];
+ v.y = f[2];
+ v.z = f[3];
+ return rb_ary_new3(2, ValueFromVector(&v), rb_float_new(f[0]));
+}
+
+/*
+ * call-seq:
+ * get_view_scale -> float
+ *
+ * Get the current scale for the view.
+ */
+static VALUE
+s_Molecule_GetViewScale(VALUE self)
+{
+ Molecule *mol;
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview == NULL)
+ return Qnil;
+ return rb_float_new(TrackballGetScale(mol->mview->track));
+}
+
+/*
+ * call-seq:
+ * get_view_translation -> Vector
+ *
+ * Get the current translation factor for the view.
+ */
+static VALUE
+s_Molecule_GetViewTranslation(VALUE self)
+{
+ Molecule *mol;
+ float f[4];
+ Vector v;
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview == NULL)
+ return Qnil;
+ TrackballGetTranslate(mol->mview->track, f);
+ v.x = f[0];
+ v.y = f[1];
+ v.z = f[2];
+ return ValueFromVector(&v);
+}
+
+/*
+ * call-seq:
+ * set_view_rotation([ax, ay, az], angle) -> self
+ *
+ * Set the current rotation for the view. Angle is in degree, not radian.
+ */
+static VALUE
+s_Molecule_SetViewRotation(VALUE self, VALUE aval, VALUE angval)
+{
+ Molecule *mol;
+ float f[4];
+ Vector v;
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview == NULL)
+ return Qnil;
+ VectorFromValue(aval, &v);
+ if (NormalizeVec(&v, &v))
+ rb_raise(rb_eMolbyError, "Cannot normalize nearly zero vector");
+ f[1] = v.x;
+ f[2] = v.y;
+ f[3] = v.z;
+ f[0] = NUM2DBL(rb_Float(angval));
+ TrackballSetRotate(mol->mview->track, f);
+ MainViewCallback_setNeedsDisplay(mol->mview, 0);
+ return self;
+}
+
+/*
+ * call-seq:
+ * set_view_scale(scale) -> self
+ *
+ * Set the current scale for the view.
+ */
+static VALUE
+s_Molecule_SetViewScale(VALUE self, VALUE aval)
+{
+ Molecule *mol;
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview == NULL)
+ return Qnil;
+ TrackballSetScale(mol->mview->track, NUM2DBL(rb_Float(aval)));
+ MainViewCallback_setNeedsDisplay(mol->mview, 0);
+ return self;
+}
+
+/*
+ * call-seq:
+ * set_view_translation(vec) -> self
+ *
+ * Set the current translation for the view.
+ */
+static VALUE
+s_Molecule_SetViewTranslation(VALUE self, VALUE aval)
+{
+ Molecule *mol;
+ Vector v;
+ float f[4];
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview == NULL)
+ return Qnil;
+ VectorFromValue(aval, &v);
+ f[0] = v.x;
+ f[1] = v.y;
+ f[2] = v.z;
+ TrackballSetTranslate(mol->mview->track, f);
+ MainViewCallback_setNeedsDisplay(mol->mview, 0);
+ return self;
+}
+
+/*
+ * call-seq:
* set_background_color(red, green, blue)
*
* Set the background color of the model window.
rb_scan_args(argc, argv, "31", &kval, &cval, &pval, &fval);
kval = rb_obj_as_string(kval);
memset(&g, 0, sizeof(g));
+ g.visible = 1;
p = RSTRING_PTR(kval);
if (strcmp(p, "line") == 0)
g.kind = kMainViewGraphicLine;
rb_raise(rb_eArgError, "no control points are given");
switch (g.kind) {
case kMainViewGraphicLine:
- if (n % 2 != 0)
- rb_raise(rb_eArgError, "the line object must have even number of control points");
+ if (n < 2)
+ rb_raise(rb_eArgError, "the line object must have at least two control points");
break;
case kMainViewGraphicPoly:
if (n < 3)
return nval;
} else rb_raise(rb_eArgError, "the argument must be an array-like object");
} else {
- VectorFromValue(nval, &v);
+ if (nval == Qnil) {
+ v.x = kInvalidFloat;
+ v.y = v.z = 0.0;
+ } else VectorFromValue(nval, &v);
}
gp->points[index * 3] = v.x;
gp->points[index * 3 + 1] = v.y;
/*
* call-seq:
+ * set_graphic_color(graphic_index, new_value) -> new_value
+ *
+ * Change the color of graphic_index-th graphic object
+ *
+ */
+static VALUE
+s_Molecule_SetGraphicColor(VALUE self, VALUE gval, VALUE cval)
+{
+ MainViewGraphic *gp;
+ Molecule *mol;
+ int index, n;
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview == NULL)
+ rb_raise(rb_eMolbyError, "this molecule has no associated graphic view");
+ index = NUM2INT(rb_Integer(gval));
+ if (index < 0 || index >= mol->mview->ngraphics)
+ rb_raise(rb_eArgError, "the graphic index is out of range");
+ gp = mol->mview->graphics + index;
+ cval = rb_ary_to_ary(cval);
+ n = RARRAY_LEN(cval);
+ if (n != 3 && n != 4)
+ rb_raise(rb_eArgError, "the color argument must have 3 or 4 numbers");
+ for (index = 0; index < n; index++) {
+ gp->rgba[index] = NUM2DBL(rb_Float(RARRAY_PTR(cval)[index]));
+ }
+ if (n == 3)
+ gp->rgba[3] = 1.0;
+ MoleculeCallback_notifyModification(mol, 0);
+ return cval;
+}
+
+/*
+ * call-seq:
+ * show_graphic(graphic_index) -> self
+ *
+ * Enable the visible flag of the graphic_index-th graphic object
+ *
+ */
+static VALUE
+s_Molecule_ShowGraphic(VALUE self, VALUE gval)
+{
+ MainViewGraphic *gp;
+ Molecule *mol;
+ int index;
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview == NULL)
+ rb_raise(rb_eMolbyError, "this molecule has no associated graphic view");
+ index = NUM2INT(rb_Integer(gval));
+ if (index < 0 || index >= mol->mview->ngraphics)
+ rb_raise(rb_eArgError, "the graphic index is out of range");
+ gp = mol->mview->graphics + index;
+ gp->visible = 1;
+ MoleculeCallback_notifyModification(mol, 0);
+ return self;
+}
+
+/*
+ * call-seq:
+ * hide_graphic(graphic_index) -> self
+ *
+ * Disable the visible flag of the graphic_index-th graphic object
+ *
+ */
+static VALUE
+s_Molecule_HideGraphic(VALUE self, VALUE gval)
+{
+ MainViewGraphic *gp;
+ Molecule *mol;
+ int index;
+ Data_Get_Struct(self, Molecule, mol);
+ if (mol->mview == NULL)
+ rb_raise(rb_eMolbyError, "this molecule has no associated graphic view");
+ index = NUM2INT(rb_Integer(gval));
+ if (index < 0 || index >= mol->mview->ngraphics)
+ rb_raise(rb_eArgError, "the graphic index is out of range");
+ gp = mol->mview->graphics + index;
+ gp->visible = 0;
+ MoleculeCallback_notifyModification(mol, 0);
+ return self;
+}
+
+/*
+ * call-seq:
* show_text(string)
*
* Show the string in the info text box.
rb_define_method(rb_cMolecule, "savedcd", s_Molecule_Savedcd, 1);
rb_define_method(rb_cMolecule, "savetep", s_Molecule_Savetep, 1);
rb_define_method(rb_cMolecule, "name", s_Molecule_Name, 0);
+ rb_define_method(rb_cMolecule, "set_name", s_Molecule_SetName, 1);
rb_define_method(rb_cMolecule, "path", s_Molecule_Path, 0);
rb_define_method(rb_cMolecule, "dir", s_Molecule_Dir, 0);
rb_define_method(rb_cMolecule, "inspect", s_Molecule_Inspect, 0);
rb_define_method(rb_cMolecule, "wrap_unit_cell", s_Molecule_WrapUnitCell, 1);
rb_define_method(rb_cMolecule, "find_conflicts", s_Molecule_FindConflicts, -1);
rb_define_method(rb_cMolecule, "display", s_Molecule_Display, 0);
+ rb_define_method(rb_cMolecule, "make_front", s_Molecule_MakeFront, 0);
rb_define_method(rb_cMolecule, "update_enabled?", s_Molecule_UpdateEnabled, 0);
rb_define_method(rb_cMolecule, "update_enabled=", s_Molecule_SetUpdateEnabled, 1);
rb_define_method(rb_cMolecule, "show_unitcell", s_Molecule_ShowUnitCell, -1);
rb_define_method(rb_cMolecule, "line_mode", s_Molecule_LineMode, -1);
rb_define_alias(rb_cMolecule, "line_mode=", "line_mode");
rb_define_method(rb_cMolecule, "resize_to_fit", s_Molecule_ResizeToFit, 0);
+ rb_define_method(rb_cMolecule, "get_view_rotation", s_Molecule_GetViewRotation, 0);
+ rb_define_method(rb_cMolecule, "get_view_scale", s_Molecule_GetViewScale, 0);
+ rb_define_method(rb_cMolecule, "get_view_translation", s_Molecule_GetViewTranslation, 0);
+ rb_define_method(rb_cMolecule, "set_view_rotation", s_Molecule_SetViewRotation, 2);
+ rb_define_method(rb_cMolecule, "set_view_scale", s_Molecule_SetViewScale, 1);
+ rb_define_method(rb_cMolecule, "set_view_translation", s_Molecule_SetViewTranslation, 1);
rb_define_method(rb_cMolecule, "set_background_color", s_Molecule_SetBackgroundColor, -1);
rb_define_method(rb_cMolecule, "create_graphic", s_Molecule_CreateGraphic, -1);
rb_define_method(rb_cMolecule, "delete_graphic", s_Molecule_DeleteGraphic, 1);
rb_define_method(rb_cMolecule, "ngraphics", s_Molecule_NGraphics, 0);
rb_define_method(rb_cMolecule, "set_graphic_point", s_Molecule_SetGraphicPoint, 3);
+ rb_define_method(rb_cMolecule, "set_graphic_color", s_Molecule_SetGraphicColor, 2);
+ rb_define_method(rb_cMolecule, "show_graphic", s_Molecule_ShowGraphic, 1);
+ rb_define_method(rb_cMolecule, "hide_graphic", s_Molecule_HideGraphic, 1);
rb_define_method(rb_cMolecule, "show_text", s_Molecule_ShowText, 1);
rb_define_method(rb_cMolecule, "md_arena", s_Molecule_MDArena, 0);
rb_define_method(rb_cMolecule, "set_parameter_attr", s_Molecule_SetParameterAttr, 5);
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