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/**
* @file
* Isosurface carving
*
* (c) 2020 Schrodinger, Inc.
*/
#include "CarveHelper.h"
#include "Map.h"
/**
* Positive cutoff value keeps triangles within the cutoff radius (a single
* vertex outside the radius will discard the triangle). A negative cutoff value
* inverts the criteria (discards triangle if all vertices are within -cutoff).
*
* @param cutoff Cutoff for inclusion (if positive) or exclusion (if negative)
* @param vertices Flat vertex array
* @param n_vertices Vertex count
*/
CarveHelper::CarveHelper(PyMOLGlobals* G, float cutoff, const float* vertices,
std::size_t n_vertices)
: m_cutoff(cutoff)
, m_vertices(vertices)
{
if (cutoff < 0) {
m_cutoff = -cutoff;
m_avoid_flag = true;
}
m_voxelmap.reset(MapNew(G, -m_cutoff, vertices, n_vertices, nullptr));
}
/**
* True if the given vertex is within the (positive) cutoff radius of any atom
*/
bool CarveHelper::is_within(const float* v) const
{
for (const auto j : MapEIter(*m_voxelmap, v)) {
if (within3f(m_vertices + 3 * j, v, m_cutoff)) {
return true;
}
}
return false;
}
/**
* True if the given triangle should be excluded
*/
bool CarveHelper::is_excluded(
const float* v0, const float* v1, const float* v2) const
{
bool within = is_within(v0) && is_within(v1) && is_within(v2);
return m_avoid_flag ? within : !within;
}
/**
* True if the given line should be excluded
*/
bool CarveHelper::is_excluded(const float* v0, const float* v1) const
{
bool within = is_within(v0) && is_within(v1);
return m_avoid_flag ? within : !within;
}
/**
* True if the given vertex should be excluded
*/
bool CarveHelper::is_excluded(const float* v0) const
{
bool within = is_within(v0);
return m_avoid_flag ? within : !within;
}
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