fix trp man conformation issue in webapp glycan plot

glycojones · Jan 9, 2024 · 03e14f2 · 03e14f2
1 parent da59b31
commit 03e14f2
Show file tree

Hide file tree

Showing 4 changed files with 18 additions and 8,287 deletions.
diff --git a/src/privateer/cpp/privateer-lib.cpp b/src/privateer/cpp/privateer-lib.cpp
@@ -2453,7 +2453,7 @@ bool privateer::glycanbuilderplot::Plot::plot_glycan ( clipper::MGlycan glycan,
 void privateer::glycanbuilderplot::Plot::recursive_paint ( clipper::MGlycan mg, clipper::MGlycan::Node node, int x, int y, bool oxford_angles, GlycanErrorCount* errors)
 {
     const clipper::MSugar& sugar = node.get_sugar();
-    GlycanErrorCount node_errors = privateer::glycanbuilderplot::get_error_counts(sugar);
+    GlycanErrorCount node_errors = privateer::glycanbuilderplot::get_error_counts(sugar, mg);
 
     errors->torsion_err += node_errors.torsion_err; 
     errors->conformation_err += node_errors.conformation_err; 

diff --git a/src/privateer/cpp/privateer-lib.h b/src/privateer/cpp/privateer-lib.h
@@ -147,11 +147,14 @@ namespace privateer
             } 
         };
 
-        static inline const GlycanErrorCount get_error_counts ( clipper::MSugar sugar )
+        static inline const GlycanErrorCount get_error_counts ( clipper::MSugar sugar , clipper::MGlycan glycan)
         {
 
             GlycanErrorCount err; 
-
+                if ( ( glycan.get_type() == "c-glycan" ) && (sugar.type().trim() == "MAN" ) && (sugar.conformation_name() == "1c4"))
+                {
+                    sugar.override_conformation_diag ( true );
+                }
                 if ( ! sugar.ok_with_anomer() ) {
                     err.anomer_err++; 
                 }

diff --git a/webapp/src/wasm/privateer.js b/webapp/src/wasm/privateer.js
diff --git a/webapp/src/wasm/privateer.wasm b/webapp/src/wasm/privateer.wasm