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#2412 - User can't correctly save (or make a layout) to RDF/RXN reaction several products or with separate positioned molecules #2717

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Generic request

  • PR name follows the pattern #1234 – issue name
  • branch name does not contain '#'
  • base branch (master or release/xx) is correct
  • PR is linked with the issue
  • task status changed to "Code review"
  • code follows product standards
  • regression tests updated

@even1024 even1024 marked this pull request as ready for review January 9, 2025 11:28
@@ -822,5 +824,234 @@ namespace indigo
float _d;
};

inline bool isPointInPolygon(const Vec2f& p, const std::vector<Vec2f>& poly)
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I think we need more comments.
Also no need to calculate x if both vertices has x > px
So I suggest something like

inline bool isPointInPolygon(const Vec2f& p, const std::vector<Vec2f>& poly)
{
    // Ray casting algorithm
    bool in = false;
    for (size_t i = 0, n = poly.size(); i < n; ++i)
    {
        size_t j = (i + 1) % n;
        if (((poly[i].y > p.y) != (poly[j].y > p.y)) && // point y between vertices and
            (((p.x > poly[i].x) && (p.x < poly[j].x)) || // both vertices are at right of point or edge is at right of point
            (p.x < (poly[i].x + (p.y - poly[i].y) * (poly[j].x - poly[i].x) / (poly[j].y - poly[i].y))))) // py < (py-y0)*dx/dy
            in = !in;
    }
    return in;
}

return std::abs(area) * 0.5f;
}

inline bool isInside(const Vec2f& edgeStart, const Vec2f& edgeEnd, const Vec2f& point)
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I think it should be named isNormalNegative, and comment about "check sign of normal to (edgeStart,edgeEnd),(edgeStart,point)" will be usefull

@AlexanderSavelyev
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AlexanderSavelyev commented Jan 18, 2025

add tests where actual undefined component (> 2 bonds). Save to rxn, save to ket (should be still saved) Add 1 for on reactant side, 1 on catalyst and 1 on product, also one for pathway reaction

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3 participants