[gentoo-commits] gentoo-x86 commit in sci-chemistry/openbabel/files: openbabel-2.2.0_beta4-obconversion_api_fix.diff

[Marcus Hanwell (cryos)]

cryos       08/04/21 05:52:32

  Added:                openbabel-2.2.0_beta4-obconversion_api_fix.diff
  Log:
  Bug 216057 - added back in missing API element.
  (Portage version: 2.1.5_rc5)

Revision  Changes    Path
1.1                  sci-chemistry/openbabel/files/openbabel-2.2.0_beta4-obconversion_api_fix.diff

file : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/openbabel/files/openbabel-2.2.0_beta4-obconversion_api_fix.diff?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/openbabel/files/openbabel-2.2.0_beta4-obconversion_api_fix.diff?rev=1.1&content-type=text/plain

Index: openbabel-2.2.0_beta4-obconversion_api_fix.diff
===================================================================
--- include/openbabel/obconversion.h	2008-02-29 14:06:19.000000000 -0500
+++ include/openbabel/obconversion.h	2008-04-20 20:17:14.000000000 -0400
@@ -49,6 +49,9 @@
 
   OBERROR extern  OBMessageHandler obErrorLog;
 
+  typedef std::map<const char*,OBFormat*,CharPtrLess > FMapType;
+  typedef FMapType::iterator Formatpos;
+
   //*************************************************
   /// @brief Class to convert from one format to another.
   // Class introduction in obconversion.cpp
@@ -75,7 +78,7 @@
       static OBFormat*        FormatFromMIME(const char* MIME);
 
       ///Repeatedly called to recover available Formats
-//      static bool	        GetNextFormat(Formatpos& itr, const char*& str,OBFormat*& pFormat);
+      static bool GetNextFormat(Formatpos& itr, const char*& str,OBFormat*& pFormat);
       //@}
 		
       /// @name Information
@@ -142,7 +145,7 @@
         { return &OptionsArray[opttyp];};
 
       ///@brief Set an option of specified type, with optional text
-      void AddOption(const char* opt, Option_type opttyp, const char* txt=NULL);
+      void AddOption(const char* opt, Option_type opttyp=OUTOPTIONS, const char* txt=NULL);
 	
       bool RemoveOption(const char* opt, Option_type optype);
 
@@ -279,7 +282,7 @@
 
     protected:
       bool             SetStartAndEnd();
-//      static FMapType& FormatsMap();///<contains ID and pointer to all OBFormat classes
+      static FMapType& FormatsMap();///<contains ID and pointer to all OBFormat classes
 //      static FMapType& FormatsMIMEMap();///<contains MIME and pointer to all OBFormat classes
       typedef std::map<std::string,int> OPAMapType;
       static OPAMapType& OptionParamArray(Option_type typ);

--- src/obconversion.cpp	2008-02-29 14:06:05.000000000 -0500
+++ src/obconversion.cpp	2008-04-20 20:18:28.000000000 -0400
@@ -324,6 +324,42 @@
     return count;
   }
 
+  FMapType& OBConversion::FormatsMap()
+  {
+    static FMapType* fm = new FMapType;
+    return *fm;
+  }
+
+  bool OBConversion::GetNextFormat(Formatpos& itr, const char*& str,OBFormat*& pFormat)
+  {
+    pFormat = NULL;
+    if(str==NULL)
+      itr = FormatsMap().begin();
+    else
+      itr++;
+    if(itr == FormatsMap().end())
+    {
+      str=NULL;
+      pFormat=NULL;
+      return false;
+    }
+    static string s;
+    s =itr->first;
+    pFormat = itr->second;
+    if(pFormat)
+    {
+      string description(pFormat->Description());
+      s += " -- ";
+      s += description.substr(0,description.find('\n'));
+    }
+
+    if(pFormat->Flags() & NOTWRITABLE) s+=" [Read-only]";
+    if(pFormat->Flags() & NOTREADABLE) s+=" [Write-only]";
+
+    str = s.c_str();
+    return true;
+  }
+
   //////////////////////////////////////////////////////
   /// Sets the formats from their ids, e g CML.
   /// If inID is NULL, the input format is left unchanged. Similarly for outID
@@ -486,7 +522,7 @@
         if(!ret)
           {
             //error or termination request: terminate unless
-            // -e option requested and sucessfully can skip past current object
+            // -e option requested and successfully can skip past current object
             if(!IsOption("e", GENOPTIONS) || pInFormat->SkipObjects(0,this)!=1) 
               break;
           }
@@ -1093,7 +1129,14 @@
 
         //INPUT
         if(FileList.empty())
-          pIs = NULL;
+          {
+            pIs = NULL;
+            if(HasMultipleOutputFiles)
+              {
+                obErrorLog.ThrowError(__FUNCTION__,"Cannot use multiple output files without an input file", obError);
+                return 0;
+              }
+          }
         else
           {
             if(FileList.size()>1 || OutputFileName.substr(0,2)=="*.")



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