Improved handling of hydrates in contracted atom labels.

johnmay · johnmay · commit 6a61f8bd2455 · 2020-01-08T11:57:29.000Z
diff --git a/display/renderbasic/src/main/java/org/openscience/cdk/renderer/generators/standard/AbbreviationLabel.java b/display/renderbasic/src/main/java/org/openscience/cdk/renderer/generators/standard/AbbreviationLabel.java
@@ -195,6 +195,13 @@ static boolean parse(String label, List<String> tokens) {
             if (c == '/' || c == '·' || c == '.' || c == '•' || c == '=') {
                 tokens.add(Character.toString(c));
                 i++;
+
+                int beg = i;
+                while (i < label.length() && isDigit(label.charAt(i))) {
+                    i++;
+                }
+                if (i > beg)
+                    tokens.add(label.substring(beg, i));
                 continue;
             }
 
diff --git a/display/renderbasic/src/main/java/org/openscience/cdk/renderer/generators/standard/StandardSgroupGenerator.java b/display/renderbasic/src/main/java/org/openscience/cdk/renderer/generators/standard/StandardSgroupGenerator.java
@@ -569,7 +569,7 @@ private IRenderingElement generateSgroupBrackets(Sgroup sgroup,
             if (isUnsignedInt(subscriptSuffix) &&
                 crossingBonds.isEmpty() &&
                 symbols.containsKey(atom)) {
-                TextOutline prefix = new TextOutline('·' + subscriptSuffix, font).resize(1/scale,1/-scale);
+                TextOutline prefix = new TextOutline(INTERPUNCT + subscriptSuffix, font).resize(1/scale,1/-scale);
                 Rectangle2D prefixBounds = prefix.getLogicalBounds();
 
                 AtomSymbol symbol = symbols.get(atom);
diff --git a/display/renderbasic/src/test/java/org/openscience/cdk/renderer/generators/standard/AbbreviationLabelTest.java b/display/renderbasic/src/test/java/org/openscience/cdk/renderer/generators/standard/AbbreviationLabelTest.java
@@ -163,6 +163,13 @@ public void reversingBracketsWithNumbers() {
         assertThat(Joiner.on("").join(tokens), is("(HO)2B"));
     }
 
+    @Test
+    public void hydrateFormatting() {
+        List<String> tokens = new ArrayList<>();
+        assertTrue(AbbreviationLabel.parse("SnCl4.2H2O", tokens));
+        System.out.println(tokens);
+    }
+
     @Test
     public void nonAbbreviationLabel() {
         List<String> tokens = new ArrayList<>();
