#1026 SVG/PNG: Contracted 'Functional Groups' and 'Salts and Solvents…

…' are rendered expanded when saved (#1154)
epam · Jun 23, 2023 · 17585b2 · 17585b2
1 parent 1fd76de
commit 17585b2
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Showing 46 changed files with 1,505 additions and 130 deletions.
diff --git a/api/c/indigo-renderer/src/indigo_render2d.cpp b/api/c/indigo-renderer/src/indigo_render2d.cpp
@@ -271,35 +271,6 @@ void indigoRenderGetCatalystsPlacement(Array<char>& value)
         value.readString("above", true);
 }
 
-void indigoRenderSetSuperatomMode(const char* mode)
-{
-    std::string mode_string(mode);
-    int result;
-    if (mode_string == "expand")
-    {
-        result = 0;
-    }
-    else if (mode_string == "collapse")
-    {
-        result = 1;
-    }
-    else
-    {
-        throw IndigoError("Invalid label mode, should be 'expand' or 'collapse'");
-    }
-    RenderParams& rp = indigoRendererGetInstance().renderParams;
-    rp.rOpt.collapseSuperatoms = result != 0;
-}
-
-void indigoRenderGetSuperatomMode(Array<char>& value)
-{
-    RenderParams& rp = indigoRendererGetInstance().renderParams;
-    if (rp.rOpt.collapseSuperatoms)
-        value.readString("collapse", true);
-    else
-        value.readString("expand", true);
-}
-
 static MultilineTextLayout _parseTextLayout(const char* text)
 {
     // Try to read as float for compatibility with previous versions
@@ -735,7 +706,6 @@ void IndigoRenderer::setOptionsHandlers()
         mgr->setOptionHandlerString("render-comment-position", indigoRenderSetCommentPosition, indigoRenderGetCommentPosition);
         mgr->setOptionHandlerString("render-stereo-style", indigoRenderSetStereoStyle, indigoRenderGetStereoStyle);
         mgr->setOptionHandlerString("render-catalysts-placement", indigoRenderSetCatalystsPlacement, indigoRenderGetCatalystsPlacement);
-        mgr->setOptionHandlerString("render-superatom-mode", indigoRenderSetSuperatomMode, indigoRenderGetSuperatomMode);
         mgr->setOptionHandlerString("render-atom-color-property", SETTER_GETTER_STR_OPTION(rp.rOpt.atomColorProp));
 
         mgr->setOptionHandlerBool("render-coloring", SETTER_GETTER_BOOL_OPTION(rp.rOpt.atomColoring));

diff --git a/api/c/indigo/src/indigo_molecule.cpp b/api/c/indigo/src/indigo_molecule.cpp
@@ -3216,8 +3216,8 @@ CEXPORT int indigoGetSGroupDisplayOption(int sgroup)
     INDIGO_BEGIN
     {
         Superatom& sup = IndigoSuperatom::cast(self.getObject(sgroup)).get();
-        if (sup.contracted > -1)
-            return sup.contracted;
+        if (sup.contracted > DisplayOption::Undefined)
+            return (int)sup.contracted;
 
         return 0;
     }
@@ -3229,7 +3229,7 @@ CEXPORT int indigoSetSGroupDisplayOption(int sgroup, int option)
     INDIGO_BEGIN
     {
         Superatom& sup = IndigoSuperatom::cast(self.getObject(sgroup)).get();
-        sup.contracted = option;
+        sup.contracted = (DisplayOption)option;
 
         return 1;
     }

diff --git a/api/c/tests/unit/tests/renderer.cpp b/api/c/tests/unit/tests/renderer.cpp
@@ -55,7 +55,6 @@ class IndigoApiRendererTest : public IndigoApiTest
         indigoSetOption("render-stereo-style", "none");
         indigoSetOptionXY("render-image-size", 400, 400);
         indigoSetOption("render-output-format", "png");
-        indigoSetOption("render-superatom-mode", "collapse");
 
         try
         {
@@ -89,7 +88,6 @@ TEST_F(IndigoApiRendererTest, layout_rings)
         indigoSetOption("render-stereo-style", "none");
         indigoSetOptionXY("render-image-size", 400, 400);
         indigoSetOption("render-output-format", "png");
-        indigoSetOption("render-superatom-mode", "collapse");
         indigoRenderToFile(m, "ring.png");
     }
     catch (Exception& e)
@@ -112,7 +110,6 @@ TEST_F(IndigoApiRendererTest, layout_crown)
         indigoSetOption("render-stereo-style", "none");
         indigoSetOptionXY("render-image-size", 400, 400);
         indigoSetOption("render-output-format", "png");
-        indigoSetOption("render-superatom-mode", "collapse");
         indigoRenderToFile(m, "crown.png");
     }
     catch (Exception& e)

diff --git a/api/tests/integration/ref/rendering/expanded_contracted_rendering.py.out b/api/tests/integration/ref/rendering/expanded_contracted_rendering.py.out
@@ -0,0 +1,10 @@
+***   test png output   ***
+***   test ket input   ***
+contracted_fg_ss_ket.png rendering status: OK
+contracted_expanded_fg_ss_ket.png rendering status: OK
+expanded_fg_ss_ket.png rendering status: OK
+***   test mol input   ***
+***   contracted_fg_ss_mol.png done  ***
+contracted_fg_ss_mol.png rendering status: OK
+contracted_expanded_fg_ss_mol.png rendering status: OK
+expanded_fg_ss_mol.png rendering status: OK
diff --git a/api/tests/integration/tests/rendering/expanded_contracted_rendering.py b/api/tests/integration/tests/rendering/expanded_contracted_rendering.py
@@ -0,0 +1,86 @@
+import errno
+import os
+import sys
+
+sys.path.append(
+    os.path.normpath(
+        os.path.join(os.path.abspath(__file__), "..", "..", "..", "common")
+    )
+)
+from env_indigo import *  # noqa
+from rendering import *
+
+if not os.path.exists(joinPathPy("out", __file__)):
+    try:
+        os.makedirs(joinPathPy("out", __file__))
+    except OSError as e:
+        if e.errno != errno.EEXIST:
+            raise
+
+indigo = Indigo()
+renderer = IndigoRenderer(indigo)
+
+print("***   test png output   ***")
+
+print("***   test ket input   ***")
+
+mol11 = indigo.loadMoleculeFromFile(
+    joinPathPy("molecules/contracted_fg_ss.ket", __file__)
+)
+indigo.setOption("render-output-format", "png")
+renderer.renderToFile(
+    mol11, joinPathPy("out/contracted_fg_ss_ket.png", __file__)
+)
+print(checkImageSimilarity("contracted_fg_ss_ket.png"))
+
+mol12 = indigo.loadMoleculeFromFile(
+    joinPathPy("molecules/contracted_expanded_fg_ss.ket", __file__)
+)
+indigo.setOption("render-output-format", "png")
+renderer.renderToFile(
+    mol12, joinPathPy("out/contracted_expanded_fg_ss_ket.png", __file__)
+)
+print(checkImageSimilarity("contracted_expanded_fg_ss_ket.png"))
+
+mol13 = indigo.loadMoleculeFromFile(
+    joinPathPy("molecules/expanded_fg_ss.ket", __file__)
+)
+indigo.setOption("render-output-format", "png")
+renderer.renderToFile(
+    mol13, joinPathPy("out/expanded_fg_ss_ket.png", __file__)
+)
+print(checkImageSimilarity("expanded_fg_ss_ket.png"))
+
+print("***   test mol input   ***")
+
+mol14 = indigo.loadMoleculeFromFile(
+    joinPathPy("molecules/contracted_fg_ss.mol", __file__)
+)
+indigo.setOption("render-output-format", "png")
+renderer.renderToFile(
+    mol14, joinPathPy("out/contracted_fg_ss_mol.png", __file__)
+)
+print("***   contracted_fg_ss_mol.png done  ***")
+print(checkImageSimilarity("contracted_fg_ss_mol.png"))
+
+mol15 = indigo.loadMoleculeFromFile(
+    joinPathPy("molecules/contracted_expanded_fg_ss.mol", __file__)
+)
+indigo.setOption("render-output-format", "png")
+renderer.renderToFile(
+    mol15, joinPathPy("out/contracted_expanded_fg_ss_mol.png", __file__)
+)
+print(checkImageSimilarity("contracted_expanded_fg_ss_mol.png"))
+
+mol16 = indigo.loadMoleculeFromFile(
+    joinPathPy("molecules/expanded_fg_ss.mol", __file__)
+)
+indigo.setOption("render-output-format", "png")
+renderer.renderToFile(
+    mol16, joinPathPy("out/expanded_fg_ss_mol.png", __file__)
+)
+print(checkImageSimilarity("expanded_fg_ss_mol.png"))
+
+if isIronPython():
+    renderer.Dispose()
+    indigo.Dispose()