53 |
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#include "applications/sequentialProps/SequentialAnalyzer.hpp" |
54 |
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#include "applications/sequentialProps/CenterOfMass.hpp" |
55 |
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#include "applications/sequentialProps/ContactAngle1.hpp" |
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+ |
#include "applications/sequentialProps/ContactAngle2.hpp" |
57 |
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|
58 |
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using namespace OpenMD; |
59 |
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|
132 |
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} |
133 |
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|
134 |
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analyzer = new ContactAngle1(info, dumpFileName, sele1, solidZ, dropletR); |
135 |
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} else if(args_info.ca2_given){ |
136 |
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RealType solidZ; |
137 |
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if (args_info.referenceZ_given) |
138 |
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solidZ = args_info.referenceZ_arg; |
139 |
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else { |
140 |
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sprintf( painCave.errMsg, |
141 |
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"--referenceZ must be set if --ca2 is used\n"); |
142 |
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painCave.severity = OPENMD_ERROR; |
143 |
+ |
painCave.isFatal = 1; |
144 |
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simError(); |
145 |
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} |
146 |
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RealType threshDens; |
147 |
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if (args_info.threshDens_given) |
148 |
+ |
threshDens = args_info.threshDens_arg; |
149 |
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else { |
150 |
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sprintf( painCave.errMsg, |
151 |
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"--threshDens must be set if --ca1 is used\n"); |
152 |
+ |
painCave.severity = OPENMD_ERROR; |
153 |
+ |
painCave.isFatal = 1; |
154 |
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simError(); |
155 |
+ |
} |
156 |
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|
157 |
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analyzer = new ContactAngle2(info, dumpFileName, sele1, solidZ, |
158 |
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threshDens, args_info.nbins_arg, |
159 |
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args_info.nbins_z_arg); |
160 |
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} |
161 |
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|
162 |
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if (args_info.output_given) { |