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| 1 | +#import "@preview/cetz:0.3.4": canvas, draw |
| 2 | +#import draw: circle, content, line, on-layer |
| 3 | + |
| 4 | +#set page(width: auto, height: auto, margin: 5pt) |
| 5 | + |
| 6 | +// Atom with 3D shading effect |
| 7 | +#let atom(pos, color, element, radius: 0.3, name: none) = { |
| 8 | + // Base circle with main color |
| 9 | + circle( |
| 10 | + pos, |
| 11 | + radius: radius, |
| 12 | + stroke: none, |
| 13 | + fill: color, |
| 14 | + name: name, |
| 15 | + ) |
| 16 | + |
| 17 | + // Gradient overlay for 3D effect |
| 18 | + circle( |
| 19 | + pos, |
| 20 | + radius: radius, |
| 21 | + stroke: none, |
| 22 | + fill: gradient.radial( |
| 23 | + color.lighten(85%), |
| 24 | + color, |
| 25 | + color.darken(25%), |
| 26 | + focal-center: (25%, 20%), |
| 27 | + focal-radius: 10%, |
| 28 | + center: (30%, 25%), |
| 29 | + ), |
| 30 | + ) |
| 31 | + |
| 32 | + // Add element label |
| 33 | + let text-color = if color == rgb("#333333") { white } else { black } |
| 34 | + |
| 35 | + // Calculate text size based on radius |
| 36 | + let text-size = if radius < 0.4 { 10pt } else { 14pt } |
| 37 | + |
| 38 | + content( |
| 39 | + pos, |
| 40 | + text(fill: text-color, weight: "bold", size: text-size)[#element], |
| 41 | + anchor: "center", |
| 42 | + ) |
| 43 | +} |
| 44 | + |
| 45 | +#canvas({ |
| 46 | + // Define atom colors |
| 47 | + let hydrogen-color = rgb("#eee") |
| 48 | + let carbon-color = rgb("#333") |
| 49 | + let nitrogen-color = rgb("#3333cc") |
| 50 | + let oxygen-color = red.darken(10%) |
| 51 | + |
| 52 | + // Define atom sizes - increased to match target image |
| 53 | + let h-radius = 0.35 |
| 54 | + let heavy-radius = 0.5 |
| 55 | + |
| 56 | + // Adjust hydrogen positions to be further from connected atoms |
| 57 | + // Original positions from LaTeX |
| 58 | + let orig-h-positions = ( |
| 59 | + ("H1", (-2.9, 1.39)), |
| 60 | + ("H2", (-3.5, 1.23)), |
| 61 | + ("H3", (-3.8, 0.15)), |
| 62 | + ("H4", (-1.7, -0.6)), |
| 63 | + ("H5", (-0.3, 1.4)), |
| 64 | + ("H6", (-1, 1.15)), |
| 65 | + ("H7", (0, -0.7)), |
| 66 | + ("H8", (1, -1.82)), |
| 67 | + ("H9", (0.2, -1.8)), |
| 68 | + ("H10", (3.5, 0.5)), |
| 69 | + ) |
| 70 | + |
| 71 | + // Heavy atom positions |
| 72 | + let c-positions = ( |
| 73 | + ("C1", (-3.19, 0.68)), |
| 74 | + ("C2", (-0.78, 0.67)), |
| 75 | + ("C3", (0.47, -0.18)), |
| 76 | + ("C4", (1.73, 0.67)), |
| 77 | + ) |
| 78 | + |
| 79 | + let n-positions = ( |
| 80 | + ("N1", (-2.00, -0.15)), |
| 81 | + ("N2", (0.51, -1.32)), |
| 82 | + ) |
| 83 | + |
| 84 | + let o-positions = ( |
| 85 | + ("O1", (1.80, 1.88)), |
| 86 | + ("O2", (2.86, -0.07)), |
| 87 | + ) |
| 88 | + |
| 89 | + // Function to move hydrogen atoms further from their connected atoms |
| 90 | + let adjust-h-position(h-pos, connected-pos, factor: 1.5) = { |
| 91 | + let (hx, hy) = h-pos |
| 92 | + let (cx, cy) = connected-pos |
| 93 | + let dx = hx - cx |
| 94 | + let dy = hy - cy |
| 95 | + let dist = calc.sqrt(dx * dx + dy * dy) |
| 96 | + let new-dist = dist * factor |
| 97 | + let scale = new-dist / dist |
| 98 | + (cx + dx * scale, cy + dy * scale) |
| 99 | + } |
| 100 | + |
| 101 | + // Connection map: which hydrogen connects to which heavy atom |
| 102 | + let h-connections = ( |
| 103 | + "H1": "C1", |
| 104 | + "H2": "C1", |
| 105 | + "H3": "C1", |
| 106 | + "H4": "N1", |
| 107 | + "H5": "C2", |
| 108 | + "H6": "C2", |
| 109 | + "H7": "C3", |
| 110 | + "H8": "N2", |
| 111 | + "H9": "N2", |
| 112 | + "H10": "O2", |
| 113 | + ) |
| 114 | + |
| 115 | + // Combine all heavy atom positions for lookup |
| 116 | + let heavy-atoms = (:) |
| 117 | + for (name, pos) in c-positions { heavy-atoms.insert(name, pos) } |
| 118 | + for (name, pos) in n-positions { heavy-atoms.insert(name, pos) } |
| 119 | + for (name, pos) in o-positions { heavy-atoms.insert(name, pos) } |
| 120 | + |
| 121 | + // Adjust hydrogen positions |
| 122 | + let h-positions = (:) |
| 123 | + for (name, pos) in orig-h-positions { |
| 124 | + let connected-atom = h-connections.at(name) |
| 125 | + let connected-pos = heavy-atoms.at(connected-atom) |
| 126 | + h-positions.insert(name, adjust-h-position(pos, connected-pos)) |
| 127 | + } |
| 128 | + |
| 129 | + // Further adjust overlapping hydrogens |
| 130 | + // Adjust H1 and H2 which overlap in the top left |
| 131 | + let h1-pos = h-positions.at("H1") |
| 132 | + let h2-pos = h-positions.at("H2") |
| 133 | + h-positions.insert("H1", (h1-pos.at(0) - 0.2, h1-pos.at(1) + 0.2)) |
| 134 | + h-positions.insert("H2", (h2-pos.at(0) - 0.2, h2-pos.at(1) - 0.2)) |
| 135 | + |
| 136 | + // Adjust H8 and H9 which overlap near the right N atom |
| 137 | + let h8-pos = h-positions.at("H8") |
| 138 | + let h9-pos = h-positions.at("H9") |
| 139 | + h-positions.insert("H8", (h8-pos.at(0) + 0.3, h8-pos.at(1) - 0.2)) |
| 140 | + h-positions.insert("H9", (h9-pos.at(0) - 0.3, h9-pos.at(1) - 0.2)) |
| 141 | + |
| 142 | + // Draw all atoms |
| 143 | + // Draw carbon atoms |
| 144 | + for (name, pos) in c-positions { |
| 145 | + atom(pos, carbon-color, "C", radius: heavy-radius, name: name) |
| 146 | + } |
| 147 | + |
| 148 | + // Draw nitrogen atoms |
| 149 | + for (name, pos) in n-positions { |
| 150 | + atom(pos, nitrogen-color, "N", radius: heavy-radius, name: name) |
| 151 | + } |
| 152 | + |
| 153 | + // Draw oxygen atoms |
| 154 | + for (name, pos) in o-positions { |
| 155 | + atom(pos, oxygen-color, "O", radius: heavy-radius, name: name) |
| 156 | + } |
| 157 | + |
| 158 | + // Draw hydrogen atoms |
| 159 | + for (name, pos) in h-positions { |
| 160 | + atom(pos, hydrogen-color, "H", radius: h-radius, name: name) |
| 161 | + } |
| 162 | + |
| 163 | + // Draw bonds on a background layer (behind atoms) |
| 164 | + on-layer( |
| 165 | + -1, |
| 166 | + { |
| 167 | + // Main chain |
| 168 | + let bond-chain = ("H1", "C1", "N1", "C2", "C3", "C4", "O1") |
| 169 | + for i in range(bond-chain.len() - 1) { |
| 170 | + let from = bond-chain.at(i) |
| 171 | + let to = bond-chain.at(i + 1) |
| 172 | + |
| 173 | + let from-pos = if from.starts-with("H") { |
| 174 | + h-positions.at(from) |
| 175 | + } else { |
| 176 | + heavy-atoms.at(from) |
| 177 | + } |
| 178 | + |
| 179 | + let to-pos = if to.starts-with("H") { |
| 180 | + h-positions.at(to) |
| 181 | + } else { |
| 182 | + heavy-atoms.at(to) |
| 183 | + } |
| 184 | + |
| 185 | + line( |
| 186 | + from-pos, |
| 187 | + to-pos, |
| 188 | + stroke: (paint: gray, thickness: 3.5pt), |
| 189 | + ) |
| 190 | + } |
| 191 | + |
| 192 | + // Additional bonds |
| 193 | + let additional-bonds = ( |
| 194 | + ("H2", "C1"), |
| 195 | + ("H3", "C1"), |
| 196 | + ("N1", "H4"), |
| 197 | + ("C2", "H5"), |
| 198 | + ("C2", "H6"), |
| 199 | + ("C3", "H7"), |
| 200 | + ("C3", "N2"), |
| 201 | + ("N2", "H8"), |
| 202 | + ("N2", "H9"), |
| 203 | + ("C4", "O2"), |
| 204 | + ("O2", "H10"), |
| 205 | + ) |
| 206 | + |
| 207 | + for (from, to) in additional-bonds { |
| 208 | + let from-pos = if from.starts-with("H") { |
| 209 | + h-positions.at(from) |
| 210 | + } else { |
| 211 | + heavy-atoms.at(from) |
| 212 | + } |
| 213 | + |
| 214 | + let to-pos = if to.starts-with("H") { |
| 215 | + h-positions.at(to) |
| 216 | + } else { |
| 217 | + heavy-atoms.at(to) |
| 218 | + } |
| 219 | + |
| 220 | + line( |
| 221 | + from-pos, |
| 222 | + to-pos, |
| 223 | + stroke: (paint: gray, thickness: 3.5pt), |
| 224 | + ) |
| 225 | + } |
| 226 | + }, |
| 227 | + ) |
| 228 | +}) |
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