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root/OpenMD/trunk/src/applications/sequentialProps/ContactAngle2.cpp
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Comparing trunk/src/applications/sequentialProps/ContactAngle2.cpp (file contents):
Revision 2037 by gezelter, Tue Nov 4 20:16:29 2014 UTC vs.
Revision 2039 by gezelter, Thu Nov 6 14:31:32 2014 UTC

# Line 54 | Line 54 | namespace OpenMD {
54  
55    ContactAngle2::ContactAngle2(SimInfo* info, const std::string& filename,
56                                 const std::string& sele, RealType solidZ,
57 <                               RealType threshDens, int nrbins, int nzbins)
57 >                               RealType threshDens, RealType bufferLength,
58 >                               int nrbins, int nzbins)
59      : SequentialAnalyzer(info, filename), selectionScript_(sele),
60        evaluator_(info), seleMan_(info), solidZ_(solidZ),
61 <      threshDens_(threshDens), nRBins_(nrbins), nZBins_(nzbins) {
61 >      threshDens_(threshDens), bufferLength_(bufferLength),
62 >      nRBins_(nrbins), nZBins_(nzbins) {
63  
64      setOutputName(getPrefix(filename) + ".ca2");
65      
# Line 169 | Line 171 | namespace OpenMD {
171          Vector<RealType,2> point;
172          point[0] = dr*(rloc+0.5);
173          point[1] = thez;
174 <        points.push_back( point );      
174 >
175 >        if (thez > bufferLength_) {
176 >          points.push_back( point );
177 >        }
178        }      
179      }
180  
# Line 284 | Line 289 | namespace OpenMD {
289      if (fabs(zCen) > rDrop) {
290        ca = 180.0;
291      } else {
292 <    
288 <      if (zCen >= 0.0) {
289 <        ca = 90.0 + asin(zCen/rDrop)*(180.0/M_PI);
290 <      } else {
291 <        ca = 90 - asin(zCen/rDrop)*(180.0/M_PI);
292 <      }
292 >      ca = 90.0 + asin(zCen/rDrop)*(180.0/M_PI);
293      }
294  
295      values_.push_back( ca );

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