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--- 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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