int main(int argc, char *argv[]) {
IMP::setup_from_argv(argc, argv, "Test ConsecutivePairContainer.");
IMP_NEW(IMP::Model, m, ());
IMP::ParticleIndexes ps;
IMP::algebra::BoundingBox3D bb(IMP::algebra::Vector3D(0, 0, 0),
IMP::algebra::Vector3D(10, 10, 10));
for (unsigned int i = 0; i < 15; ++i) {
ps.push_back(m->add_particle("P"));
IMP::core::XYZ::setup_particle(m, ps.back(),
IMP::algebra::get_random_vector_in(bb));
}
IMP_NEW(IMP::container::ConsecutivePairContainer, cpc, (m, ps));
IMP_NEW(IMP::core::HarmonicDistancePairScore, hdps, (0, 1));
IMP::Pointer<IMP::Restraint> r =
IMP::container::create_restraint(hdps.get(), cpc.get());
IMP_USAGE_CHECK(r->evaluate(false) > 0, "zero evaluate");
IMP::Pointer<IMP::Restraint> rd = r->create_decomposition();
IMP::RestraintsTemp rds = IMP::get_restraints(IMP::RestraintsTemp(1, rd));
IMP_USAGE_CHECK(rds.size() == ps.size() - 1,
"Bad lengths: " << rds.size() << " vs " << ps.size() - 1);
double re = r->evaluate(false);
double rde = rd->evaluate(false);
IMP_CHECK_VARIABLE(re);
IMP_CHECK_VARIABLE(rde);
IMP_USAGE_CHECK(std::abs(rde - re) < .1,
"Invalid decomposed score: " << re << " vs " << rde);
return 0;
}
void KNNData::fill_nearest_neighbors_v(const algebra::VectorKD &g,
unsigned int k,
double eps,
Ints &ret) const {
VectorWithIndex d(std::numeric_limits<int>::max(), g);
RealRCTree::
K_neighbor_search search(dynamic_cast<RealRCTree*>(tree_.get())
->tree,
d, k, eps);
IMP_IF_CHECK(base::USAGE_AND_INTERNAL) {
int nump=std::distance(dynamic_cast<RealRCTree*>(tree_.get())
->tree.begin(),
dynamic_cast<RealRCTree*>(tree_.get())
->tree.end());
int realk=std::min<int>(nump, k);
IMP_CHECK_VARIABLE(realk);
IMP_INTERNAL_CHECK(std::distance(search.begin(), search.end())
== static_cast<int>(realk),
"Got the wrong number of points out from CGAL neighbor"
<< " search. Expected " << realk
<< " got "
<< std::distance(search.begin(), search.end()));
}
Ints::iterator rit = ret.begin();
for ( RealRCTree::K_neighbor_search::iterator it = search.begin();
it != search.end(); ++it) {
*rit= it->first;
++rit;
}
}
void Object::set_log_level(LogLevel l) {
IMP_CHECK_VARIABLE(l);
IMP_USAGE_CHECK(l <= MEMORY && l >= DEFAULT, "Setting to invalid log level "
<< l);
#if IMP_HAS_LOG != IMP_SILENT
if (l != log_level_) {
log_level_ = l;
}
#endif
}
const RadiusDependentKernelParameters&
KernelParameters::set_params(float radius) {
IMP_USAGE_CHECK(initialized_,
"The Kernel Parameters are not initialized");
std::map<float ,const RadiusDependentKernelParameters *>::iterator iter =
radii2params_.find(radius);
IMP_CHECK_VARIABLE(iter);
IMP_USAGE_CHECK(iter == radii2params_.end(),
"The Kernel Parameters for the radius " << radius
<< " have already been calculated");
radii2params_[radius]=new RadiusDependentKernelParameters(
radius,rsigsq_,timessig_,sq2pi3_,
inv_rsigsq_,rnormfac_,rkdist_);
return *radii2params_[radius];
}
