60 |
|
seleMan2_.setSelectionSet(evaluator2_.evaluate()); |
61 |
|
} |
62 |
|
|
63 |
+ |
if (!evaluator1_.isDynamic() && !evaluator2_.isDynamic()) { |
64 |
+ |
//if all selections are static, we can precompute the number of real pairs |
65 |
+ |
|
66 |
+ |
int nSelected1 = seleMan1_.getSelectionCount(); |
67 |
+ |
int nSelected2 = seleMan2_.getSelectionCount(); |
68 |
+ |
|
69 |
+ |
BitSet bs = seleMan1_.getSelectionSet(); |
70 |
+ |
bs &= seleMan2_.getSelectionSet(); |
71 |
+ |
int nIntersect = bs.countBits(); |
72 |
+ |
|
73 |
+ |
nRealPairs_ = nSelected1 * nSelected2 - (nIntersect +1) * nIntersect/2; |
74 |
+ |
} |
75 |
+ |
|
76 |
|
} |
77 |
|
|
78 |
|
void RadialDistrFunc::process() { |
80 |
|
RigidBody* rb; |
81 |
|
SimInfo::MoleculeIterator mi; |
82 |
|
Molecule::RigidBodyIterator rbIter; |
83 |
+ |
|
84 |
|
preProcess(); |
85 |
|
|
86 |
|
DumpReader reader(info_, dumpFilename_); |
114 |
|
StuntDouble* sd2; |
115 |
|
int k; |
116 |
|
for (sd2 = seleMan2_.beginSelected(k); sd2 != NULL; sd2 = seleMan2_.nextSelected(k)) { |
117 |
< |
collectHistogram(sd1, sd2); |
117 |
> |
if (sd1 != sd2) { |
118 |
> |
collectHistogram(sd1, sd2); |
119 |
> |
} |
120 |
|
} |
121 |
|
} |
122 |
|
|
129 |
|
writeRdf(); |
130 |
|
} |
131 |
|
|
132 |
+ |
int RadialDistrFunc::getNRealPairs() { |
133 |
+ |
if (evaluator1_.isDynamic() || evaluator2_.isDynamic()) { |
134 |
+ |
//if one of the selection is static, need to recompute it |
135 |
+ |
|
136 |
+ |
int nSelected1 = seleMan1_.getSelectionCount(); |
137 |
+ |
int nSelected2 = seleMan2_.getSelectionCount(); |
138 |
+ |
|
139 |
+ |
BitSet bs = seleMan1_.getSelectionSet(); |
140 |
+ |
bs &= seleMan2_.getSelectionSet(); |
141 |
+ |
int nIntersect = bs.countBits(); |
142 |
+ |
|
143 |
+ |
nRealPairs_ = nSelected1 * nSelected2 - (nIntersect +1) * nIntersect/2; |
144 |
+ |
} |
145 |
+ |
|
146 |
+ |
return nRealPairs_; |
147 |
|
} |
148 |
+ |
|
149 |
+ |
} |