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root/group/trunk/OOPSE-2.0/src/openbabel/typer.cpp
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Comparing trunk/OOPSE-2.0/src/openbabel/typer.cpp (file contents):
Revision 2450 by gezelter, Thu Nov 17 20:38:45 2005 UTC vs.
Revision 2518 by tim, Fri Dec 16 21:52:50 2005 UTC

# Line 69 | Line 69 | void OBAtomTyper::ParseLine(const char *buffer)
69          tokenize(vs,buffer);
70          if (vs.empty() || vs.size() < 3)
71            {
72 <            obErrorLog.ThrowError(__FUNCTION__, " Could not parse INTHYB line in atom type table from atomtyp.txt", obInfo);
72 >            obErrorLog.ThrowError(__func__, " Could not parse INTHYB line in atom type table from atomtyp.txt", obInfo);
73              return;
74            }
75  
# Line 80 | Line 80 | void OBAtomTyper::ParseLine(const char *buffer)
80          {
81              delete sp;
82              sp = NULL;
83 <            obErrorLog.ThrowError(__FUNCTION__, " Could not parse INTHYB line in atom type table from atomtyp.txt", obInfo);
83 >            obErrorLog.ThrowError(__func__, " Could not parse INTHYB line in atom type table from atomtyp.txt", obInfo);
84              return;
85          }
86      }
# Line 89 | Line 89 | void OBAtomTyper::ParseLine(const char *buffer)
89          tokenize(vs,buffer);
90          if (vs.empty() || vs.size() < 3)
91            {
92 <            obErrorLog.ThrowError(__FUNCTION__, " Could not parse IMPVAL line in atom type table from atomtyp.txt", obInfo);
92 >            obErrorLog.ThrowError(__func__, " Could not parse IMPVAL line in atom type table from atomtyp.txt", obInfo);
93              return;
94            }
95  
# Line 98 | Line 98 | void OBAtomTyper::ParseLine(const char *buffer)
98              _vimpval.push_back(pair<OBSmartsPattern*,int> (sp,atoi((char*)vs[2].c_str())));
99          else
100          {
101 <            obErrorLog.ThrowError(__FUNCTION__, " Could not parse IMPVAL line in atom type table from atomtyp.txt", obInfo);
101 >            obErrorLog.ThrowError(__func__, " Could not parse IMPVAL line in atom type table from atomtyp.txt", obInfo);
102              delete sp;
103              sp = NULL;
104              return;
# Line 109 | Line 109 | void OBAtomTyper::ParseLine(const char *buffer)
109          tokenize(vs,buffer);
110          if (vs.empty() || vs.size() < 3)
111            {
112 <            obErrorLog.ThrowError(__FUNCTION__, " Could not parse EXTTYP line in atom type table from atomtyp.txt", obInfo);
112 >            obErrorLog.ThrowError(__func__, " Could not parse EXTTYP line in atom type table from atomtyp.txt", obInfo);
113              return;
114            }
115          sp = new OBSmartsPattern;
# Line 119 | Line 119 | void OBAtomTyper::ParseLine(const char *buffer)
119          {
120              delete sp;
121              sp = NULL;
122 <            obErrorLog.ThrowError(__FUNCTION__, " Could not parse EXTTYP line in atom type table from atomtyp.txt", obInfo);
122 >            obErrorLog.ThrowError(__func__, " Could not parse EXTTYP line in atom type table from atomtyp.txt", obInfo);
123              return;
124          }
125      }
# Line 153 | Line 153 | void OBAtomTyper::AssignTypes(OBMol &mol)
153      if (!_init)
154          Init();
155  
156 <    obErrorLog.ThrowError(__FUNCTION__,
156 >    obErrorLog.ThrowError(__func__,
157                            "Ran OpenBabel::AssignTypes", obAuditMsg);
158  
159      mol.SetAtomTypesPerceived();
# Line 178 | Line 178 | void OBAtomTyper::AssignHyb(OBMol &mol)
178      aromtyper.AssignAromaticFlags(mol);
179  
180      mol.SetHybridizationPerceived();
181 <    obErrorLog.ThrowError(__FUNCTION__,
181 >    obErrorLog.ThrowError(__func__,
182                            "Ran OpenBabel::AssignHybridization", obAuditMsg);
183  
184      OBAtom *atom;
# Line 208 | Line 208 | void OBAtomTyper::AssignImplicitValence(OBMol &mol)
208          Init();
209  
210      mol.SetImplicitValencePerceived();
211 <    obErrorLog.ThrowError(__FUNCTION__,
211 >    obErrorLog.ThrowError(__func__,
212                            "Ran OpenBabel::AssignImplicitValence", obAuditMsg);
213  
214      // FF Ensure that the aromatic typer will not be called
# Line 544 | Line 544 | void OBAromaticTyper::ParseLine(const char *buffer)
544          }
545          else
546          {
547 <            obErrorLog.ThrowError(__FUNCTION__, " Could not parse line in aromatic typer from aromatic.txt", obInfo);
547 >            obErrorLog.ThrowError(__func__, " Could not parse line in aromatic typer from aromatic.txt", obInfo);
548              delete sp;
549              sp = NULL;
550              return;
551          }
552      }
553      else
554 <      obErrorLog.ThrowError(__FUNCTION__, " Could not parse line in aromatic typer from aromatic.txt", obInfo);
554 >      obErrorLog.ThrowError(__func__, " Could not parse line in aromatic typer from aromatic.txt", obInfo);
555   }
556  
557   OBAromaticTyper::~OBAromaticTyper()
# Line 572 | Line 572 | void OBAromaticTyper::AssignAromaticFlags(OBMol &mol)
572      if (mol.HasAromaticPerceived())
573          return;
574      mol.SetAromaticPerceived();
575 <    obErrorLog.ThrowError(__FUNCTION__,
575 >    obErrorLog.ThrowError(__func__,
576                            "Ran OpenBabel::AssignAromaticFlags", obAuditMsg);
577  
578      _vpa.clear();

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