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Commit 6bf99439 authored by Charlles Abreu's avatar Charlles Abreu
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Fixed sanity checks in spline filters

parent 77b488b8
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Showing with 12 additions and 4 deletions
openmmapi/src/SplineFitter.cpp
View file @ 6bf99439
...@@ -200,8 +200,12 @@ void SplineFitter::solveTridiagonalMatrix(const vector<double>& a, const vector< ...@@ -200,8 +200,12 @@ void SplineFitter::solveTridiagonalMatrix(const vector<double>& a, const vector<
void SplineFitter::create2DSpline(const vector<double>& x, const vector<double>& y, const vector<double>& values, bool periodic, vector<vector<double> >& c) { void SplineFitter::create2DSpline(const vector<double>& x, const vector<double>& y, const vector<double>& values, bool periodic, vector<vector<double> >& c) {
int xsize = x.size(), ysize = y.size(); int xsize = x.size(), ysize = y.size();
// if (xsize < 2 || ysize < 2) if (periodic) {
// throw OpenMMException("create2DNaturalSpline: must have at least two points along each axis"); if (xsize < 3 || ysize < 3)
throw OpenMMException("create2DNaturalSpline: periodic spline must have at least three points along each axis");
}
else if (xsize < 2 || ysize < 2)
throw OpenMMException("create2DNaturalSpline: must have at least two points along each axis");
if (values.size() != xsize*ysize) if (values.size() != xsize*ysize)
throw OpenMMException("create2DNaturalSpline: incorrect number of values"); throw OpenMMException("create2DNaturalSpline: incorrect number of values");
vector<double> d1(xsize*ysize), d2(xsize*ysize), d12(xsize*ysize); vector<double> d1(xsize*ysize), d2(xsize*ysize), d12(xsize*ysize);
...@@ -385,8 +389,12 @@ void SplineFitter::evaluate2DSplineDerivatives(const vector<double>& x, const ve ...@@ -385,8 +389,12 @@ void SplineFitter::evaluate2DSplineDerivatives(const vector<double>& x, const ve
void SplineFitter::create3DSpline(const vector<double>& x, const vector<double>& y, const vector<double>& z, const vector<double>& values, bool periodic, vector<vector<double> >& c) { void SplineFitter::create3DSpline(const vector<double>& x, const vector<double>& y, const vector<double>& z, const vector<double>& values, bool periodic, vector<vector<double> >& c) {
int xsize = x.size(), ysize = y.size(), zsize = z.size(); int xsize = x.size(), ysize = y.size(), zsize = z.size();
int xysize = xsize*ysize; int xysize = xsize*ysize;
// if (xsize < 2 || ysize < 2 || zsize < 2) if (periodic) {
// throw OpenMMException("create2DNaturalSpline: must have at least two points along each axis"); if (xsize < 3 || ysize < 3 || zsize < 3)
throw OpenMMException("create3DNaturalSpline: periodic spline must have at least three points along each axis");
}
else if (xsize < 2 || ysize < 2 || zsize < 2)
throw OpenMMException("create3DNaturalSpline: must have at least two points along each axis");
if (values.size() != xsize*ysize*zsize) if (values.size() != xsize*ysize*zsize)
throw OpenMMException("create2DNaturalSpline: incorrect number of values"); throw OpenMMException("create2DNaturalSpline: incorrect number of values");
vector<double> d1(xsize*ysize*zsize), d2(xsize*ysize*zsize), d3(xsize*ysize*zsize); vector<double> d1(xsize*ysize*zsize), d2(xsize*ysize*zsize), d3(xsize*ysize*zsize);
......
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