// // time: Tue Apr 23 14:38:19 1996 // // version: 3.0.0 (format), 3.1.2 (DX) // // // MODULE main // CATEGORY Macros // // comment: This network produces a ball and stick model of disilane overlayed with an // comment: isosurface of the valence electron density obtained from an SCF calculation // comment: using Gaussian 92. The gradient of the density is color mapped to the isosurface, // comment: with greatest change more blue and smallest gradient more red. // comment: // comment: The background is the contours produced from a MaptoPlane. They are scaled to // comment: fill up the background. The contours are made more visible by using TUBES to // comment: represent them. // comment: Vector Glyphs are used to show the direction of the gradient of the density field // comment: and can be move up and down through the field with the sequencer. // comment: the surface can be banded by the highest gradient values to show the regions // comment: of the field where the density gradient is the highest. // comment: The data are a grid of scalar values and the molecular geometry points and connections // workspace: width = 810, height = 906 // layout: snap = 0, width = 50, height = 50, align = CC // macro main( ) -> ( ) { // // node Selector[3]: x = 141, y = 728, inputs = 7, label = Selector // input[1]: defaulting = 0, visible = 0, type = 32, value = "Selector_3" // input[2]: defaulting = 0, visible = 0, type = 32, value = "on" // input[3]: defaulting = 0, visible = 0, type = 29, value = 1 // input[4]: defaulting = 1, visible = 1, type = 16777248, value = { "on" "off" } // input[5]: defaulting = 1, visible = 0, type = 16777245, value = { 1 0 } // output[1]: visible = 1, type = 29, value = 1 // output[2]: visible = 1, type = 32, value = "on" // // // node Import[1]: x = 58, y = 2, inputs = 6, label = Import // input[1]: defaulting = 0, visible = 0, type = 32, value = "disi_densityR.dx" // input[2]: visible = 0 // input[3]: defaulting = 0, visible = 0, type = 32, value = "dx" // main_Import_1_out_1 = Import( main_Import_1_in_1, main_Import_1_in_2, main_Import_1_in_3, main_Import_1_in_4, main_Import_1_in_5, main_Import_1_in_6 ) [instance: 1, cache: 1]; // // node Reduce[2]: x = 48, y = 103, inputs = 2, label = Reduce // input[2]: defaulting = 0, visible = 0, type = 16777221, value = { 1.0 } // main_Reduce_2_out_1 = Reduce( main_Import_1_out_1, main_Reduce_2_in_2 ) [instance: 2, cache: 1]; // // node Include[1]: x = 48, y = 198, inputs = 5, label = Include // input[2]: defaulting = 0, visible = 0, type = 5, value = 0.0100000 // input[3]: defaulting = 0, visible = 0, type = 5, value = 0.200000 // input[4]: visible = 0 // input[5]: visible = 0 // main_Include_1_out_1 = Include( main_Reduce_2_out_1, main_Include_1_in_2, main_Include_1_in_3, main_Include_1_in_4, main_Include_1_in_5 ) [instance: 1, cache: 1]; // // node MapToPlane[1]: x = 36, y = 293, inputs = 3, label = MapToPlane // input[2]: visible = 0 // input[3]: defaulting = 0, visible = 0, type = 8, value = [0.45399, 0, 0.89101] // main_MapToPlane_1_out_1 = MapToPlane( main_Include_1_out_1, main_MapToPlane_1_in_2, main_MapToPlane_1_in_3 ) [instance: 1, cache: 1]; // // node Isosurface[2]: x = 36, y = 383, inputs = 6, label = Isosurface // input[2]: visible = 0 // input[3]: defaulting = 0, visible = 0, type = 1, value = 12 // input[5]: defaulting = 0, visible = 0, type = 3, value = 0 // main_Isosurface_2_out_1 = Isosurface( main_MapToPlane_1_out_1, main_Isosurface_2_in_2, main_Isosurface_2_in_3, main_Isosurface_2_in_4, main_Isosurface_2_in_5, main_Isosurface_2_in_6 ) [instance: 2, cache: 1]; // // node AutoColor[2]: x = 27, y = 462, inputs = 10, label = AutoColor // input[3]: defaulting = 0, visible = 0, type = 5, value = 2.00000 // output[2]: visible = 0 // main_AutoColor_2_out_1, main_AutoColor_2_out_2 = AutoColor( main_Isosurface_2_out_1, main_AutoColor_2_in_2, main_AutoColor_2_in_3, main_AutoColor_2_in_4, main_AutoColor_2_in_5, main_AutoColor_2_in_6, main_AutoColor_2_in_7, main_AutoColor_2_in_8, main_AutoColor_2_in_9, main_AutoColor_2_in_10 ) [instance: 2, cache: 1]; // // node Scale[1]: x = 46, y = 531, inputs = 2, label = Scale // input[2]: defaulting = 0, visible = 0, type = 8, value = [4, 2.5, 1] // main_Scale_1_out_1 = Scale( main_AutoColor_2_out_1, main_Scale_1_in_2 ) [instance: 1, cache: 1]; // // node Translate[6]: x = 44, y = 609, inputs = 2, label = Translate // input[2]: defaulting = 0, visible = 0, type = 8, value = [0, 0, -1] // main_Translate_6_out_1 = Translate( main_Scale_1_out_1, main_Translate_6_in_2 ) [instance: 6, cache: 1]; // // node Mark[3]: x = 59, y = 681, inputs = 2, label = Mark // input[2]: defaulting = 0, visible = 0, type = 32, value = "colors" // main_Mark_3_out_1 = Mark( main_Translate_6_out_1, main_Mark_3_in_2 ) [instance: 3, cache: 1]; // // node Compute[7]: x = 42, y = 758, inputs = 3, label = Compute // input[1]: defaulting = 0, visible = 0, type = 32, value = "$0*3" // input[3]: visible = 0 // expression: value = a*3 // name[2]: value = a // name[3]: value = b // main_Compute_7_out_1 = Compute( main_Compute_7_in_1, main_Mark_3_out_1, main_Compute_7_in_3 ) [instance: 7, cache: 1]; // // node Unmark[3]: x = 55, y = 838, inputs = 2, label = Unmark // input[2]: defaulting = 0, visible = 0, type = 32, value = "colors" // main_Unmark_3_out_1 = Unmark( main_Compute_7_out_1, main_Unmark_3_in_2 ) [instance: 3, cache: 1]; // // node Switch[2]: x = 177, y = 837, inputs = 3, label = Switch // main_Switch_2_out_1 = Switch( main_Selector_3_out_1, main_Unmark_3_out_1, main_Switch_2_in_3 ) [instance: 2, cache: 1]; // // node Selector[2]: x = 227, y = 587, inputs = 7, label = Selector // input[1]: defaulting = 0, visible = 0, type = 32, value = "Selector_2" // input[2]: defaulting = 0, visible = 0, type = 32, value = "Gradient Mapped Banded surface" // input[3]: defaulting = 0, visible = 0, type = 29, value = 2 // input[4]: defaulting = 1, visible = 0, type = 16777248, value = { "Gradient Mapped Isodensity Surface" "Gradient Mapped Banded surface" } // input[5]: defaulting = 1, visible = 0, type = 16777245, value = { 1 2 } // output[1]: visible = 1, type = 29, value = 2 // output[2]: visible = 1, type = 32, value = "Gradient Mapped Banded surface" // // // node Format[1]: x = 242, y = 679, inputs = 3, label = Format // input[2]: visible = 0 // input[3]: visible = 0 // main_Format_1_out_1 = Format( main_Selector_2_out_2, main_Format_1_in_2, main_Format_1_in_3 ) [instance: 1, cache: 1]; // // node Caption[1]: x = 292, y = 784, inputs = 9, label = Caption // input[2]: visible = 0 // input[3]: defaulting = 0, visible = 0, type = 3, value = NULL // input[6]: defaulting = 0, visible = 0, type = 1, value = 25 // input[7]: defaulting = 0, visible = 0, type = 32, value = "area" // main_Caption_1_out_1 = Caption( main_Format_1_out_1, main_Caption_1_in_2, main_Caption_1_in_3, main_Caption_1_in_4, main_Caption_1_in_5, main_Caption_1_in_6, main_Caption_1_in_7, main_Caption_1_in_8, main_Caption_1_in_9 ) [instance: 1, cache: 1]; // // node Isosurface[1]: x = 143, y = 118, inputs = 6, label = Isosurface // input[2]: defaulting = 0, visible = 0, type = 5, value = .0189 // input[3]: visible = 0 // main_Isosurface_1_out_1 = Isosurface( main_Reduce_2_out_1, main_Isosurface_1_in_2, main_Isosurface_1_in_3, main_Isosurface_1_in_4, main_Isosurface_1_in_5, main_Isosurface_1_in_6 ) [instance: 1, cache: 1]; // // node Gradient[1]: x = 189, y = 22, inputs = 2, label = Gradient // main_Gradient_1_out_1 = Gradient( main_Import_1_out_1, main_Gradient_1_in_2 ) [instance: 1, cache: 1]; // // node Compute[1]: x = 312, y = 27, inputs = 2, label = Compute // input[1]: defaulting = 0, visible = 0, type = 32, value = "mag($0)" // expression: value = mag(a) // name[2]: value = a // main_Compute_1_out_1 = Compute( main_Compute_1_in_1, main_Gradient_1_out_1 ) [instance: 1, cache: 1]; // // node Map[1]: x = 309, y = 127, inputs = 4, label = Map // main_Map_1_out_1 = Map( main_Isosurface_1_out_1, main_Compute_1_out_1, main_Map_1_in_3, main_Map_1_in_4 ) [instance: 1, cache: 1]; // // node Colormap[1]: x = 332, y = 247, inputs = 19, label = Colormap // input[1]: defaulting = 0, visible = 0, type = 16777224, value = { [0.0 0.0] [0.066666579 0.0] [0.26031842 0.684211] [0.33333421 0.684211] [0.52063421 0.684211] [0.98976053 0.694581] [0.99365 0.694737] [1.0 0.694737] } // input[2]: defaulting = 0, visible = 0, type = 16777224, value = { [0.0 1.0] [0.066666579 1.0] [0.26031842 1.0] [0.33333421 1.0] [0.52063421 1.0] [0.98976053 1.0] [0.99365 1.0] [1.0 1.0] } // input[3]: defaulting = 0, visible = 0, type = 16777224, value = { [0.0 0.98913] [0.066666579 0.989855] [0.26031842 0.991932] [0.33333421 0.992754] [0.52063421 0.994783] [0.98976053 0.999855] [0.99365 0.999903] [1.0 1.0] } // input[4]: defaulting = 0, visible = 0, type = 16777224, value = { [0.0 1.0] [0.017064737 1.0] [0.99555526 1.0] [1.0 1.0] } // input[5]: defaulting = 0, visible = 0, type = 32, value = "Colormap_1" // input[6]: visible = 0 // input[7]: defaulting = 1, visible = 0, type = 5, value = 0.02 // input[8]: defaulting = 1, visible = 0, type = 5, value = 0.4 // input[9]: defaulting = 1, visible = 0, type = 1, value = 20 // input[12]: defaulting = 0, visible = 0, type = 16777221, value = { 0.02 0.4 } // output[2]: visible = 0 // window: position = (25.5992,31.9990), size = 25.5992x31.9990 // main_Colormap_1_out_1[cache: 2], main_Colormap_1_out_2[cache: 2] = Colormap( main_Colormap_1_in_1, main_Colormap_1_in_2, main_Colormap_1_in_3, main_Colormap_1_in_4, main_Colormap_1_in_5, main_Colormap_1_in_6, main_Colormap_1_in_7, main_Colormap_1_in_8, main_Colormap_1_in_9, main_Colormap_1_in_10, main_Colormap_1_in_11, main_Colormap_1_in_12, main_Colormap_1_in_13, main_Colormap_1_in_14, main_Colormap_1_in_15, main_Colormap_1_in_16, main_Colormap_1_in_17, main_Colormap_1_in_18, main_Colormap_1_in_19 ) [instance: 1, cache: 1]; // // node Scalar[1]: x = 509, y = 212, inputs = 11, label = Scalar // input[1]: defaulting = 0, visible = 0, type = 32, value = "Scalar_1" // input[2]: visible = 0 // input[3]: defaulting = 0, visible = 0, type = 5, value = 0.300000 // input[4]: defaulting = 0, visible = 0, type = 3, value = 0 // input[5]: defaulting = 1, visible = 0, type = 5, value = 0.001 // input[6]: defaulting = 1, visible = 0, type = 5, value = 1.0 // input[7]: defaulting = 1, visible = 0, type = 5, value = 1.00000 // input[8]: defaulting = 1, visible = 0, type = 32, value = "3" // input[9]: defaulting = 1, visible = 0, type = 1, value = 3 // output[1]: visible = 1, type = 5, value = 0.300000 // // // node Color[5]: x = 458, y = 309, inputs = 5, label = Color // main_Color_5_out_1 = Color( main_Map_1_out_1, main_Colormap_1_out_1, main_Scalar_1_out_1, main_Color_5_in_4, main_Color_5_in_5 ) [instance: 5, cache: 1]; // // node Mark[1]: x = 476, y = 391, inputs = 2, label = Mark // input[2]: defaulting = 0, visible = 0, type = 32, value = "colors" // main_Mark_1_out_1 = Mark( main_Color_5_out_1, main_Mark_1_in_2 ) [instance: 1, cache: 1]; // // node Compute[5]: x = 462, y = 479, inputs = 2, label = Compute // input[1]: defaulting = 0, visible = 0, type = 32, value = "$0*2.5" // expression: value = a*2.5 // name[2]: value = a // main_Compute_5_out_1 = Compute( main_Compute_5_in_1, main_Mark_1_out_1 ) [instance: 5, cache: 1]; // // node Unmark[1]: x = 473, y = 556, inputs = 2, label = Unmark // input[2]: defaulting = 0, visible = 0, type = 32, value = "colors" // main_Unmark_1_out_1 = Unmark( main_Compute_5_out_1, main_Unmark_1_in_2 ) [instance: 1, cache: 1]; // // node Shade[1]: x = 474, y = 638, inputs = 7, label = Shade // input[2]: defaulting = 1, visible = 0, type = 3, value = 0 // input[3]: visible = 0 // input[4]: defaulting = 0, visible = 0, type = 5, value = .5 // input[5]: defaulting = 0, visible = 0, type = 1, value = 10 // input[6]: defaulting = 0, visible = 0, type = 5, value = .8 // input[7]: defaulting = 0, visible = 0, type = 5, value = 2.00000 // main_Shade_1_out_1 = Shade( main_Unmark_1_out_1, main_Shade_1_in_2, main_Shade_1_in_3, main_Shade_1_in_4, main_Shade_1_in_5, main_Shade_1_in_6, main_Shade_1_in_7 ) [instance: 1, cache: 1]; // // node Remove[1]: x = 195, y = 281, inputs = 2, label = Remove // input[2]: defaulting = 0, visible = 0, type = 32, value = "normals" // main_Remove_1_out_1 = Remove( main_Map_1_out_1, main_Remove_1_in_2 ) [instance: 1, cache: 1]; // // node Band[1]: x = 180, y = 373, inputs = 4, label = Band // input[2]: defaulting = 0, visible = 0, type = 16777221, value = {.05 .. .1 : .005} // input[3]: defaulting = 1, visible = 0, type = 1, value = 30 // input[4]: defaulting = 0, visible = 0, type = 32, value = "low" // main_Band_1_out_1 = Band( main_Remove_1_out_1, main_Band_1_in_2, main_Band_1_in_3, main_Band_1_in_4 ) [instance: 1, cache: 1]; // // node Scalar[2]: x = 338, y = 392, inputs = 11, label = Scalar // input[1]: defaulting = 0, visible = 0, type = 32, value = "Scalar_2" // input[2]: visible = 0 // input[3]: defaulting = 0, visible = 0, type = 5, value = 0.490000 // input[4]: defaulting = 0, visible = 0, type = 3, value = 0 // input[5]: defaulting = 1, visible = 0, type = 5, value = 0.0 // input[6]: defaulting = 1, visible = 0, type = 5, value = 1.0 // input[7]: defaulting = 1, visible = 0, type = 5, value = 1.00000 // input[8]: defaulting = 1, visible = 0, type = 32, value = "3" // input[9]: defaulting = 1, visible = 0, type = 1, value = 3 // output[1]: visible = 1, type = 5, value = 0.490000 // // // node Color[1]: x = 204, y = 473, inputs = 5, label = Color // main_Color_1_out_1 = Color( main_Band_1_out_1, main_Colormap_1_out_1, main_Scalar_2_out_1, main_Color_1_in_4, main_Color_1_in_5 ) [instance: 1, cache: 1]; // // node Switch[1]: x = 347, y = 609, inputs = 3, label = Switch // main_Switch_1_out_1 = Switch( main_Selector_2_out_1, main_Shade_1_out_1, main_Color_1_out_1 ) [instance: 1, cache: 1]; // // node Selector[4]: x = 639, y = 511, inputs = 7, label = Selector // input[1]: defaulting = 0, visible = 0, type = 32, value = "Selector_4" // input[2]: defaulting = 0, visible = 0, type = 32, value = "off" // input[3]: defaulting = 0, visible = 0, type = 29, value = 0 // input[4]: defaulting = 1, visible = 1, type = 16777248, value = { "on" "off" } // input[5]: defaulting = 1, visible = 0, type = 16777245, value = { 1 0 } // output[1]: visible = 1, type = 29, value = 0 // output[2]: visible = 1, type = 32, value = "off" // // // node Sequencer[1]: x = 439, y = 20, inputs = 7, label = Sequencer // input[1]: defaulting = 0, visible = 0, type = 32, value = "Sequencer_1" // input[4]: defaulting = 1, visible = 0, type = 1, value = 5 // input[5]: defaulting = 1, visible = 0, type = 1, value = 20 // input[6]: defaulting = 1, visible = 0, type = 1, value = 2 // input[7]: defaulting = 0, visible = 0, type = 16777217, value = { 5 20 2 5 20 0 } // vcr[1]: min = 5, max = 20, beg = 5, end = 20, cur = 5, inc = 2, loop = on, step = off, pal = on // main_Sequencer_1_out_1 = @frame; // // node Slab[1]: x = 426, y = 122, inputs = 4, label = Slab // input[2]: defaulting = 0, visible = 0, type = 32, value = "x" // input[4]: defaulting = 0, visible = 0, type = 1, value = 0 // main_Slab_1_out_1 = Slab( main_Compute_1_out_1, main_Slab_1_in_2, main_Sequencer_1_out_1, main_Slab_1_in_4 ) [instance: 1, cache: 1]; // // node Map[2]: x = 572, y = 127, inputs = 4, label = Map // main_Map_2_out_1 = Map( main_Slab_1_out_1, main_Compute_1_out_1, main_Map_2_in_3, main_Map_2_in_4 ) [instance: 2, cache: 1]; // // node AutoColor[1]: x = 697, y = 50, inputs = 10, label = AutoColor // input[4]: defaulting = 0, visible = 0, type = 5, value = 0.9 // output[2]: visible = 0 // main_AutoColor_1_out_1, main_AutoColor_1_out_2 = AutoColor( main_Map_2_out_1, main_AutoColor_1_in_2, main_AutoColor_1_in_3, main_AutoColor_1_in_4, main_AutoColor_1_in_5, main_AutoColor_1_in_6, main_AutoColor_1_in_7, main_AutoColor_1_in_8, main_AutoColor_1_in_9, main_AutoColor_1_in_10 ) [instance: 1, cache: 1]; // // node Compute[2]: x = 738, y = 156, inputs = 2, label = Compute // input[1]: defaulting = 0, visible = 0, type = 32, value = "[$0, 0.0, 0.0]" // expression: value = [a, 0.0, 0.0] // name[2]: value = a // main_Compute_2_out_1 = Compute( main_Compute_2_in_1, main_AutoColor_1_out_1 ) [instance: 2, cache: 1]; // // node Reduce[1]: x = 743, y = 260, inputs = 2, label = Reduce // input[2]: defaulting = 0, visible = 0, type = 16777221, value = NULL // main_Reduce_1_out_1 = Reduce( main_Compute_2_out_1, main_Reduce_1_in_2 ) [instance: 1, cache: 1]; // // node Compute[6]: x = 740, y = 361, inputs = 2, label = Compute // input[1]: defaulting = 0, visible = 0, type = 32, value = "norm($0)" // expression: value = norm(a) // name[2]: value = a // main_Compute_6_out_1 = Compute( main_Compute_6_in_1, main_Reduce_1_out_1 ) [instance: 6, cache: 1]; // // node Glyph[1]: x = 749, y = 477, inputs = 7, label = Glyph // input[2]: defaulting = 0, visible = 0, type = 32, value = "rocket" // input[3]: defaulting = 0, visible = 0, type = 5, value = 2.00000 // input[4]: defaulting = 0, visible = 0, type = 5, value = 0.300000 // input[5]: visible = 0 // main_Glyph_1_out_1 = Glyph( main_Compute_6_out_1, main_Glyph_1_in_2, main_Glyph_1_in_3, main_Glyph_1_in_4, main_Glyph_1_in_5, main_Glyph_1_in_6, main_Glyph_1_in_7 ) [instance: 1, cache: 1]; // // node Switch[3]: x = 751, y = 584, inputs = 2, label = Switch // main_Switch_3_out_1 = Switch( main_Selector_4_out_1, main_Glyph_1_out_1 ) [instance: 3, cache: 1]; // // node BALLnSTICK[1]: x = 580, y = 627, inputs = 8, label = BALLnSTICK // input[1]: defaulting = 0, visible = 0, type = 32, value = "disi_geometry.dx" // input[2]: defaulting = 0, visible = 0, type = 32, value = "molcolor.dx" // input[3]: defaulting = 0, visible = 0, type = 32, value = "radii.dx" // input[4]: defaulting = 0, visible = 0, type = 5, value = 1.00000 // input[5]: defaulting = 0, visible = 0, type = 5, value = 0.500000 // input[6]: defaulting = 0, visible = 0, type = 67108863, value = 1 // input[7]: defaulting = 0, visible = 0, type = 67108863, value = "pink" // input[8]: defaulting = 0, visible = 0, type = 67108863, value = .15 // main_BALLnSTICK_1_out_1 = BALLnSTICK( main_BALLnSTICK_1_in_1, main_BALLnSTICK_1_in_2, main_BALLnSTICK_1_in_3, main_BALLnSTICK_1_in_4, main_BALLnSTICK_1_in_5, main_BALLnSTICK_1_in_6, main_BALLnSTICK_1_in_7, main_BALLnSTICK_1_in_8 ) [instance: 1, cache: 1]; // // node Collect[3]: x = 416, y = 771, inputs = 5, label = Collect // main_Collect_3_out_1 = Collect( main_Switch_2_out_1, main_Caption_1_out_1, main_Switch_1_out_1, main_Switch_3_out_1, main_BALLnSTICK_1_out_1 ) [instance: 3, cache: 1]; // // node Image[1]: x = 458, y = 843, inputs = 42, label = Image // input[1]: defaulting = 0, visible = 0, type = 32, value = "Image_1" // input[4]: defaulting = 0, visible = 0, type = 1, value = 1 // input[5]: defaulting = 0, visible = 0, type = 8, value = [-0.055425 0.143452 0] // input[6]: defaulting = 0, visible = 0, type = 8, value = [6.24276 -3.36155 -2.9855] // input[7]: defaulting = 1, visible = 0, type = 5, value = 10.9256 // input[8]: defaulting = 0, visible = 0, type = 1, value = 795 // input[9]: defaulting = 0, visible = 0, type = 5, value = 0.652 // input[10]: defaulting = 0, visible = 0, type = 8, value = [-0.507786 -0.19837 -0.838333] // input[11]: defaulting = 0, visible = 0, type = 5, value = 70.0002 // input[12]: defaulting = 0, visible = 0, type = 1, value = 1 // input[14]: defaulting = 0, visible = 0, type = 1, value = 1 // input[15]: defaulting = 0, visible = 0, type = 32, value = "none" // input[16]: defaulting = 0, visible = 0, type = 32, value = "none" // input[17]: defaulting = 1, visible = 0, type = 1, value = 1 // input[18]: defaulting = 1, visible = 0, type = 1, value = 1 // input[19]: defaulting = 0, visible = 0, type = 1, value = 0 // input[22]: defaulting = 0, visible = 0, type = 32, value = "black" // input[25]: defaulting = 0, visible = 0, type = 32, value = "disi" // input[26]: defaulting = 0, visible = 0, type = 32, value = "r+g+b" // input[29]: defaulting = 1, visible = 0, type = 3, value = 0 // output[1]: visible = 0 // output[2]: visible = 0 // depth: value = 8 // window: position = (0.2570,0.0254), size = 0.6320x0.5488 // interaction mode = NONE // internal caching: 1 // main_Image_1_out_1, main_Image_1_out_2 = Image( main_Image_1_in_1, main_Collect_3_out_1, main_Image_1_in_3, main_Image_1_in_4, main_Image_1_in_5, main_Image_1_in_6, main_Image_1_in_7, main_Image_1_in_8, main_Image_1_in_9, main_Image_1_in_10, main_Image_1_in_11, main_Image_1_in_12, main_Image_1_in_13, main_Image_1_in_14, main_Image_1_in_15, main_Image_1_in_16, main_Image_1_in_17, main_Image_1_in_18, main_Image_1_in_19, main_Image_1_in_20, main_Image_1_in_21, main_Image_1_in_22, main_Image_1_in_23, main_Image_1_in_24, main_Image_1_in_25, main_Image_1_in_26, main_Image_1_in_27, main_Image_1_in_28, main_Image_1_in_29, main_Image_1_in_30, main_Image_1_in_31, main_Image_1_in_32, main_Image_1_in_33, main_Image_1_in_34, main_Image_1_in_35, main_Image_1_in_36, main_Image_1_in_37, main_Image_1_in_38, main_Image_1_in_39, main_Image_1_in_40, main_Image_1_in_41, main_Image_1_in_42 ) [instance: 1, cache: 1]; // network: end of macro body CacheScene("Image_1", main_Image_1_out_1, main_Image_1_out_2); } main_Selector_3_in_1 = "Selector_3"; main_Selector_3_in_2 = "on" ; main_Selector_3_in_3 = 1 ; main_Selector_3_in_4 = NULL; main_Selector_3_in_5 = NULL; main_Selector_3_in_6 = NULL; main_Selector_3_in_7 = NULL; main_Selector_3_out_1 = 1 ; main_Import_1_in_1 = "disi_densityR.dx"; main_Import_1_in_2 = NULL; main_Import_1_in_3 = "dx"; main_Import_1_in_4 = NULL; main_Import_1_in_5 = NULL; main_Import_1_in_6 = NULL; main_Import_1_out_1 = NULL; main_Reduce_2_in_2 = { 1.0 }; main_Reduce_2_out_1 = NULL; main_Include_1_in_2 = 0.0100000; main_Include_1_in_3 = 0.200000; main_Include_1_in_4 = NULL; main_Include_1_in_5 = NULL; main_Include_1_out_1 = NULL; main_MapToPlane_1_in_2 = NULL; main_MapToPlane_1_in_3 = [0.45399, 0, 0.89101]; main_MapToPlane_1_out_1 = NULL; main_Isosurface_2_in_2 = NULL; main_Isosurface_2_in_3 = 12; main_Isosurface_2_in_4 = NULL; main_Isosurface_2_in_5 = 0; main_Isosurface_2_in_6 = NULL; main_Isosurface_2_out_1 = NULL; main_AutoColor_2_in_2 = NULL; main_AutoColor_2_in_3 = 2.00000; main_AutoColor_2_in_4 = NULL; main_AutoColor_2_in_5 = NULL; main_AutoColor_2_in_6 = NULL; main_AutoColor_2_in_7 = NULL; main_AutoColor_2_in_8 = NULL; main_AutoColor_2_in_9 = NULL; main_AutoColor_2_in_10 = NULL; main_AutoColor_2_out_1 = NULL; main_Scale_1_in_2 = [4, 2.5, 1]; main_Scale_1_out_1 = NULL; main_Translate_6_in_2 = [0, 0, -1]; main_Translate_6_out_1 = NULL; main_Mark_3_in_2 = "colors"; main_Mark_3_out_1 = NULL; main_Compute_7_in_1 = "$0*3"; main_Compute_7_in_3 = NULL; main_Compute_7_out_1 = NULL; main_Unmark_3_in_2 = "colors"; main_Unmark_3_out_1 = NULL; main_Switch_2_in_3 = NULL; main_Switch_2_out_1 = NULL; main_Selector_2_in_1 = "Selector_2"; main_Selector_2_in_2 = "Gradient Mapped Banded surface" ; main_Selector_2_in_3 = 2 ; main_Selector_2_in_4 = NULL; main_Selector_2_in_5 = NULL; main_Selector_2_in_6 = NULL; main_Selector_2_in_7 = NULL; main_Selector_2_out_1 = 2 ; main_Selector_2_out_2 = "Gradient Mapped Banded surface" ; main_Format_1_in_2 = NULL; main_Format_1_in_3 = NULL; main_Format_1_out_1 = NULL; main_Caption_1_in_2 = NULL; main_Caption_1_in_3 = NULL; main_Caption_1_in_4 = NULL; main_Caption_1_in_5 = NULL; main_Caption_1_in_6 = 25; main_Caption_1_in_7 = "area"; main_Caption_1_in_8 = NULL; main_Caption_1_in_9 = NULL; main_Caption_1_out_1 = NULL; main_Isosurface_1_in_2 = .0189; main_Isosurface_1_in_3 = NULL; main_Isosurface_1_in_4 = NULL; main_Isosurface_1_in_5 = NULL; main_Isosurface_1_in_6 = NULL; main_Isosurface_1_out_1 = NULL; main_Gradient_1_in_2 = NULL; main_Gradient_1_out_1 = NULL; main_Compute_1_in_1 = "mag($0)"; main_Compute_1_out_1 = NULL; main_Map_1_in_3 = NULL; main_Map_1_in_4 = NULL; main_Map_1_out_1 = NULL; main_Colormap_1_in_1 = { [0.0 0.0] [0.066666579 0.0] [0.26031842 0.684211] [0.33333421 0.684211] [0.52063421 0.684211] [0.98976053 0.694581] [0.99365 0.694737] [1.0 0.694737] }; main_Colormap_1_in_2 = { [0.0 1.0] [0.066666579 1.0] [0.26031842 1.0] [0.33333421 1.0] [0.52063421 1.0] [0.98976053 1.0] [0.99365 1.0] [1.0 1.0] }; main_Colormap_1_in_3 = { [0.0 0.98913] [0.066666579 0.989855] [0.26031842 0.991932] [0.33333421 0.992754] [0.52063421 0.994783] [0.98976053 0.999855] [0.99365 0.999903] [1.0 1.0] }; main_Colormap_1_in_4 = { [0.0 1.0] [0.017064737 1.0] [0.99555526 1.0] [1.0 1.0] }; main_Colormap_1_in_5 = "Colormap_1"; main_Colormap_1_in_6 = NULL; main_Colormap_1_in_7 = NULL; main_Colormap_1_in_8 = NULL; main_Colormap_1_in_9 = NULL; main_Colormap_1_in_10 = NULL; main_Colormap_1_in_11 = NULL; main_Colormap_1_in_12 = { 0.02 0.4 }; main_Colormap_1_in_13 = NULL; main_Colormap_1_in_14 = NULL; main_Colormap_1_in_15 = NULL; main_Colormap_1_in_16 = NULL; main_Colormap_1_in_17 = NULL; main_Colormap_1_in_18 = NULL; main_Colormap_1_in_19 = NULL; main_Colormap_1_out_1 = NULL; main_Scalar_1_in_1 = "Scalar_1"; main_Scalar_1_in_2 = NULL; main_Scalar_1_in_3 = 0.300000 ; main_Scalar_1_in_4 = 0; main_Scalar_1_in_5 = NULL; main_Scalar_1_in_6 = NULL; main_Scalar_1_in_7 = NULL; main_Scalar_1_in_8 = NULL; main_Scalar_1_in_9 = NULL; main_Scalar_1_in_10 = NULL; main_Scalar_1_in_11 = NULL; main_Scalar_1_out_1 = 0.300000 ; main_Color_5_in_4 = NULL; main_Color_5_in_5 = NULL; main_Color_5_out_1 = NULL; main_Mark_1_in_2 = "colors"; main_Mark_1_out_1 = NULL; main_Compute_5_in_1 = "$0*2.5"; main_Compute_5_out_1 = NULL; main_Unmark_1_in_2 = "colors"; main_Unmark_1_out_1 = NULL; main_Shade_1_in_2 = NULL; main_Shade_1_in_3 = NULL; main_Shade_1_in_4 = .5; main_Shade_1_in_5 = 10; main_Shade_1_in_6 = .8; main_Shade_1_in_7 = 2.00000; main_Shade_1_out_1 = NULL; main_Remove_1_in_2 = "normals"; main_Remove_1_out_1 = NULL; main_Band_1_in_2 = {.05 .. .1 : .005}; main_Band_1_in_3 = NULL; main_Band_1_in_4 = "low"; main_Band_1_out_1 = NULL; main_Scalar_2_in_1 = "Scalar_2"; main_Scalar_2_in_2 = NULL; main_Scalar_2_in_3 = 0.490000 ; main_Scalar_2_in_4 = 0; main_Scalar_2_in_5 = NULL; main_Scalar_2_in_6 = NULL; main_Scalar_2_in_7 = NULL; main_Scalar_2_in_8 = NULL; main_Scalar_2_in_9 = NULL; main_Scalar_2_in_10 = NULL; main_Scalar_2_in_11 = NULL; main_Scalar_2_out_1 = 0.490000 ; main_Color_1_in_4 = NULL; main_Color_1_in_5 = NULL; main_Color_1_out_1 = NULL; main_Switch_1_out_1 = NULL; main_Selector_4_in_1 = "Selector_4"; main_Selector_4_in_2 = "off" ; main_Selector_4_in_3 = 0 ; main_Selector_4_in_4 = NULL; main_Selector_4_in_5 = NULL; main_Selector_4_in_6 = NULL; main_Selector_4_in_7 = NULL; main_Selector_4_out_1 = 0 ; main_Sequencer_1_in_1 = "Sequencer_1"; main_Sequencer_1_in_2 = NULL; main_Sequencer_1_in_3 = NULL; main_Sequencer_1_in_4 = NULL; main_Sequencer_1_in_5 = NULL; main_Sequencer_1_in_6 = NULL; main_Sequencer_1_in_7 = { 5 20 2 5 20 0 }; main_Sequencer_1_out_1 = NULL; @startframe = 5; @nextframe = @startframe; @endframe = 20; @deltaframe = 2; main_Slab_1_in_2 = "x"; main_Slab_1_in_4 = 0; main_Slab_1_out_1 = NULL; main_Map_2_in_3 = NULL; main_Map_2_in_4 = NULL; main_Map_2_out_1 = NULL; main_AutoColor_1_in_2 = NULL; main_AutoColor_1_in_3 = NULL; main_AutoColor_1_in_4 = 0.9; main_AutoColor_1_in_5 = NULL; main_AutoColor_1_in_6 = NULL; main_AutoColor_1_in_7 = NULL; main_AutoColor_1_in_8 = NULL; main_AutoColor_1_in_9 = NULL; main_AutoColor_1_in_10 = NULL; main_AutoColor_1_out_1 = NULL; main_Compute_2_in_1 = "[$0, 0.0, 0.0]"; main_Compute_2_out_1 = NULL; main_Reduce_1_in_2 = NULL; main_Reduce_1_out_1 = NULL; main_Compute_6_in_1 = "norm($0)"; main_Compute_6_out_1 = NULL; main_Glyph_1_in_2 = "rocket"; main_Glyph_1_in_3 = 2.00000; main_Glyph_1_in_4 = 0.300000; main_Glyph_1_in_5 = NULL; main_Glyph_1_in_6 = NULL; main_Glyph_1_in_7 = NULL; main_Glyph_1_out_1 = NULL; main_Switch_3_out_1 = NULL; main_BALLnSTICK_1_in_1 = "disi_geometry.dx"; main_BALLnSTICK_1_in_2 = "molcolor.dx"; main_BALLnSTICK_1_in_3 = "radii.dx"; main_BALLnSTICK_1_in_4 = 1.00000; main_BALLnSTICK_1_in_5 = 0.500000; main_BALLnSTICK_1_in_6 = 1; main_BALLnSTICK_1_in_7 = "pink"; main_BALLnSTICK_1_in_8 = .15; main_BALLnSTICK_1_out_1 = NULL; main_Collect_3_out_1 = NULL; macro Image( id, object, where, useVector, to, from, width, resolution, aspect, up, viewAngle, perspective, options, buttonState = 1, buttonUpApprox = "none", buttonDownApprox = "none", buttonUpDensity = 1, buttonDownDensity = 1, renderMode = 0, defaultCamera, reset, backgroundColor, throttle, RECenable = 0, RECfile, RECformat, RECresolution, RECaspect, AAenable = 0, AAlabels, AAticks, AAcorners, AAframe, AAadjust, AAcursor, AAgrid, AAcolors, AAannotation, AAlabelscale, AAfont, interactionMode, title) -> ( object, camera) { ImageMessage( id, backgroundColor, throttle, RECenable, RECfile, RECformat, RECresolution, RECaspect, AAenable, AAlabels, AAticks, AAcorners, AAframe, AAadjust, AAcursor, AAgrid, AAcolors, AAannotation, AAlabelscale, AAfont, interactionMode, title, renderMode, buttonUpApprox, buttonDownApprox, buttonUpDensity, buttonDownDensity) [instance: 1, cache: 1]; autoCamera = AutoCamera( object, "front", object, resolution, aspect, [0,1,0], perspective, viewAngle, backgroundColor) [instance: 1, cache: 1]; realCamera = Camera( to, from, width, resolution, aspect, up, perspective, viewAngle, backgroundColor) [instance: 1, cache: 1]; coloredDefaultCamera = UpdateCamera(defaultCamera, background=backgroundColor) [instance: 1, cache: 1]; nullDefaultCamera = Inquire(defaultCamera, "is null + 1") [instance: 1, cache: 1]; resetCamera = Switch( nullDefaultCamera, coloredDefaultCamera, autoCamera) [instance: 1, cache: 1]; resetNull = Inquire( reset, "is null + 1") [instance: 2, cache: 1]; reset = Switch( resetNull, reset, 0) [instance: 2, cache: 1]; whichCamera = Compute( "($0 != 0 || $1 == 0) ? 1 : 2", reset, useVector) [instance: 1, cache: 1]; camera = Switch( whichCamera, resetCamera, realCamera) [instance: 3, cache: 1]; AAobject = AutoAxes( object, camera, AAlabels, AAticks, AAcorners, AAframe, AAadjust, AAcursor, AAgrid, AAcolors, AAannotation, AAlabelscale, AAfont) [instance: 1, cache: 1]; switchAAenable = Compute("$0+1", AAenable) [instance: 2, cache: 1]; object = Switch( switchAAenable, object, AAobject) [instance:4, cache: 1]; SWapproximation_options = Switch( buttonState, buttonUpApprox, buttonDownApprox) [instance: 5, cache: 1]; SWdensity_options = Switch( buttonState, buttonUpDensity, buttonDownDensity) [instance: 6, cache: 1]; HWapproximation_options = Format( "%s,%s", buttonDownApprox, buttonUpApprox) [instance: 1, cache: 1]; HWdensity_options = Format( "%d,%d", buttonDownDensity, buttonUpDensity) [instance: 2, cache: 1]; switchRenderMode = Compute( "$0+1", renderMode) [instance: 3, cache: 1]; approximation_options = Switch( switchRenderMode, SWapproximation_options, HWapproximation_options) [instance: 7, cache: 1]; density_options = Switch( switchRenderMode, SWdensity_options, HWdensity_options) [instance: 8, cache: 1]; renderModeString = Switch( switchRenderMode, "software", "hardware")[instance: 9, cache: 1]; object_tag = Inquire( object, "object tag")[instance: 3, cache: 1]; annoted_object = Options( object, "send boxes", 0, "cache", 1, "object tag", object_tag, "ddcamera", whichCamera, "rendering approximation", approximation_options, "render every", density_options, "button state", buttonState, "rendering mode", renderModeString) [instance: 1, cache: 1]; RECresNull = Inquire( RECresolution, "is null + 1") [instance: 4, cache: 1]; ImageResolution = Inquire( camera, "camera resolution") [instance: 5, cache: 1]; RECresolution = Switch( RECresNull, RECresolution, ImageResolution) [instance: 10, cache: 1]; RECaspectNull = Inquire( RECaspect, "is null + 1") [instance: 6, cache: 1]; ImageAspect = Inquire( camera, "camera aspect") [instance: 7, cache: 1]; RECaspect = Switch( RECaspectNull, RECaspect, ImageAspect) [instance: 11, cache: 1]; switchRECenable = Compute( "$0 == 0 ? 1 : (($1 == $2) && ($3 == $4)) ? 2 : 3", RECenable, RECresolution, ImageResolution, RECaspect, ImageAspect) [instance: 4, cache: 1]; NoRECobject, RECNoRerenderObject, RECRerenderObject = Route(switchRECenable, annoted_object); Display( NoRECobject, camera, where, throttle) [instance: 1, cache: 1]; image = Render( RECNoRerenderObject, camera) [instance: 1, cache: 1]; Display( image, NULL, where, throttle) [instance: 2, cache: 1]; WriteImage( image, RECfile, RECformat) [instance: 1, cache: 1]; RECupdateCamera = UpdateCamera( camera, resolution=RECresolution, aspect=RECaspect) [instance: 2, cache: 1]; Display( RECRerenderObject, camera, where, throttle) [instance: 3, cache: 1]; image = Render( RECRerenderObject, RECupdateCamera) [instance: 2, cache: 1]; WriteImage( image, RECfile, RECformat) [instance: 2, cache: 1]; } main_Image_1_in_1 = "Image_1"; main_Image_1_in_3 = "X8,,"; main_Image_1_in_4 = 1; main_Image_1_in_5 = [-0.055425 0.143452 0]; main_Image_1_in_6 = [6.24276 -3.36155 -2.9855]; main_Image_1_in_7 = NULL; main_Image_1_in_8 = 795; main_Image_1_in_9 = 0.652; main_Image_1_in_10 = [-0.507786 -0.19837 -0.838333]; main_Image_1_in_11 = 70.0002; main_Image_1_in_12 = 1; main_Image_1_in_13 = NULL; main_Image_1_in_14 = 1; main_Image_1_in_15 = "none"; main_Image_1_in_16 = "none"; main_Image_1_in_17 = NULL; main_Image_1_in_18 = NULL; main_Image_1_in_19 = 0; main_Image_1_in_20 = NULL; main_Image_1_in_21 = NULL; main_Image_1_in_22 = "black"; main_Image_1_in_23 = NULL; main_Image_1_in_25 = "disi"; main_Image_1_in_26 = "r+g+b"; main_Image_1_in_27 = NULL; main_Image_1_in_28 = NULL; main_Image_1_in_29 = NULL; main_Image_1_in_30 = NULL; main_Image_1_in_31 = NULL; main_Image_1_in_32 = NULL; main_Image_1_in_33 = NULL; main_Image_1_in_34 = NULL; main_Image_1_in_35 = NULL; main_Image_1_in_36 = NULL; main_Image_1_in_37 = NULL; main_Image_1_in_38 = NULL; main_Image_1_in_39 = NULL; main_Image_1_in_40 = NULL; main_Image_1_in_41 = NULL; main_Image_1_in_42 = NULL; Executive("product version 3 1 2"); $sync sequence main(); play;