added simple gfx entity test script

modules/gfx/src/impl/backbone_trace.cc

@@ -85,6 +85,7 @@ public:
     mol::AtomHandle ca = res.GetCentralAtom();
     if (ca) {
       float rad=1.0;
+      // TODO: move this property to the rendering state
       if(ca.HasProp("trace_rad")) {
         rad=ca.GetFloatProp("trace_rad");
       }

modules/gfx/tests/test_entity.py

+eh=io.LoadPDB("1crn",remote=True)
+
+scene.Add(gfx.Entity("simple_default",gfx.SIMPLE,eh))
+scene.Add(gfx.Entity("simple_mod",gfx.SIMPLE,eh))
+scene["simple_mod"].ColorBy("abfac",gfx.Gradient([gfx.BLUE,gfx.RED]))
+scene["simple_mod"].simple_options.line_width=3.5
+scene["simple_mod"].simple_options.aa_lines=True
+
+scene.Add(gfx.Entity("custom_default",gfx.CUSTOM,eh))
+scene.Add(gfx.Entity("custom_mod",gfx.CUSTOM,eh))
+scene["custom_mod"].custom_options.bond_rad=0.45
+scene["custom_mod"].custom_options.sphere_rad=0.55
+scene["custom_mod"].SetColor(gfx.ORANGE,"ele=C")
+
+scene.Add(gfx.Entity("cpk_default", gfx.CPK,eh))
+scene["cpk_default"].cpk_options.sphere_detail=2 # should have no influence
+scene.Add(gfx.Entity("cpk_mod", gfx.CPK,eh))
+scene["cpk_mod"].cpk_options.sphere_mode=0
+scene["cpk_mod"].cpk_options.sphere_detail=2
+
+scene.Add(gfx.Entity("ltrace_default", gfx.LINE_TRACE,eh))
+scene.Add(gfx.Entity("ltrace_mod", gfx.LINE_TRACE,eh))
+scene["ltrace_mod"].ColorBy("rnum",gfx.Gradient([gfx.PURPLE,gfx.YELLOW,gfx.CYAN]))
+scene["ltrace_mod"].line_trace_options.aa_lines=True
+scene["ltrace_mod"].line_trace_options.line_width=3.5
+
+scene.Add(gfx.Entity("trace_default", gfx.TRACE,eh))
+scene.Add(gfx.Entity("trace_mod", gfx.TRACE,eh))
+scene["trace_mod"].ColorBy("rnum",gfx.Gradient([gfx.RED,gfx.GREEN,gfx.BLUE]))
+scene["trace_mod"].trace_options.arc_detail=6
+scene["trace_mod"].trace_options.tube_radius=1.3
+
+scene.Add(gfx.Entity("tube_default", gfx.TUBE,eh))
+eh2=eh.Copy()
+scene.Add(gfx.Entity("tube_mod", gfx.TUBE,eh2))
+bfmin=1e-6
+bfmax=-1e-6
+for a in eh2.Select("peptide=1 and aname=CA").atoms:
+  bfmin=min(bfmin,a.b_factor)
+  bfmax=max(bfmax,a.b_factor)
+for a in eh2.Select("peptide=1 and aname=CA").atoms:
+  a.handle.SetFloatProp("trace_rad",5.0*min(1.0,max(0.0,(a.b_factor-bfmin)/(bfmax-bfmin)))+0.3)
+scene["tube_mod"].ColorBy("rbfac",gfx.Gradient([gfx.BLUE,gfx.RED]))
+scene["tube_mod"].tube_options.spline_detail=8
+scene["tube_mod"].tube_options.arc_detail=8
+scene["trace_mod"].tube_options.tube_radius=1.0
+
+scene.Add(gfx.Entity("hsc_default", gfx.HSC,eh))
+scene.Add(gfx.Entity("hsc_mod", gfx.HSC,eh))
+scene["hsc_mod"].SetColor(gfx.PURPLE,"rtype=H")
+scene["hsc_mod"].SetColor(gfx.ORANGE,"rtype=E")
+scene["hsc_mod"].cartoon_options.helix_width=1.3
+scene["hsc_mod"].cartoon_options.helix_thickness=0.6
+scene["hsc_mod"].cartoon_options.strand_width=1.6
+scene["hsc_mod"].cartoon_options.strand_thickness=0.4
+scene["hsc_mod"].cartoon_options.tube_radius=0.5
+
+
+
+scene.Match("*").Hide()
+