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Run clang-format against cpp (#4358)
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@@ -115,4 +115,4 @@ void ChiralViolationContrib::getGrad(double *pos, double *grad) const {
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pos[d_idx3 * dim + 1] * (pos[d_idx1 * dim] - pos[d_idx2 * dim]));
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// std::cerr<<"Chiral Violation grad: "<<preFactor<<std::endl;
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}
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}
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} // namespace DistGeom
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@@ -94,4 +94,4 @@ void DistViolationContrib::getGrad(double *pos, double *grad) const {
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grad[dim * this->d_end2Idx + i] -= dGrad;
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}
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}
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}
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} // namespace DistGeom
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@@ -78,4 +78,4 @@ bool triangleSmoothBounds(BoundsMatrix *boundsMat, double tol) {
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}
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return true;
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}
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}
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} // namespace DistGeom
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@@ -171,7 +171,7 @@ PyObject *embedBoundsMatrix(python::object boundsMatArg, int maxIters = 10,
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return PyArray_Return(res);
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}
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}
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} // namespace RDKit
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BOOST_PYTHON_MODULE(DistGeom) {
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python::scope().attr("__doc__") =
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