epam#2748 reverse s group label if it appears on the left of the mole…

…cule
mestrelab-chemoinformatics · Feb 4, 2025 · 3e5fb3b · 3e5fb3b
1 parent 860d260
commit 3e5fb3b
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Showing 2 changed files with 39 additions and 0 deletions.
diff --git a/core/render2d/render_internal.h b/core/render2d/render_internal.h
@@ -133,6 +133,7 @@ namespace indigo
         void _preparePseudoAtom(int aid, int color, bool highlighted);
         void _prepareChargeLabel(int aid, int color, bool highlighted);
         void _prepareLabelText(int aid);
+        void _reverseLabelText(const int aid);
         void _prepareAAM();
         int _pushTextItem(RenderItem::TYPE type, int color, bool highlighted);
         int _pushTextItem(AtomDesc& ad, RenderItem::TYPE type, int color, bool highlighted);

diff --git a/core/render2d/src/render_internal.cpp b/core/render2d/src/render_internal.cpp
@@ -2985,6 +2985,11 @@ void MoleculeRenderInternal::_prepareLabelText(int aid)
     ad.boundBoxMin.set(0, 0);
     ad.boundBoxMax.set(0, 0);
 
+    if (ad.label == 0 && ad.hydroPos == HYDRO_POS_LEFT)
+    {
+        _reverseLabelText(aid);
+    }
+
     int color = ad.color;
     bool highlighted = _vertexIsHighlighted(aid);
 
@@ -3477,6 +3482,39 @@ void MoleculeRenderInternal::_prepareLabelText(int aid)
     }
 }
 
+void MoleculeRenderInternal::_reverseLabelText(const int aid)
+{
+    AtomDesc& ad = _ad(aid);
+    std::stringstream stream;
+    std::vector<std::string> labels;
+    stream << ad.pseudo[0];
+    for (int i = 1; i < ad.pseudo.size() - 1; ++i)
+    {
+        if (ad.pseudo[i] >= 'A' && ad.pseudo[i] <= 'Z')
+        {
+            labels.push_back(stream.str());
+            stream.str(std::string());
+            stream.clear();
+        }
+        stream << ad.pseudo[i];
+    }
+    labels.push_back(stream.str());
+
+    int j = 0;
+    int size = ad.pseudo.size() - 1;
+    for (auto it = labels.crbegin(); it != labels.crend(); ++it)
+    {
+        for (const auto& ch : *it)
+        {
+            if (j < size)
+            {
+                ad.pseudo[j] = ch;
+                ++j;
+            }
+        }
+    }
+}
+
 int MoleculeRenderInternal::_pushTextItem(RenderItem::TYPE ritype, int color, bool highlighted)
 {
     _data.textitems.push();