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//
// Copyright (C) 2019 Greg Landrum
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include "catch.hpp"
#include <RDGeneral/test.h>
#include <iostream>
#include <fstream>
#include "Conrec.h"
#include <RDGeneral/Invariant.h>
#include <RDGeneral/RDLog.h>
#include <cmath>
#include <RDGeneral/utils.h>
#include <Geometry/point.h>
TEST_CASE("Conrec basics", "[conrec]") {
SECTION("basics") {
std::vector<RDGeom::Point2D> pts = {{0., 0.}, {1., 0.}, {1., 1.}, {0., 1.}};
const size_t gridSz = 100;
auto *grid = new double[gridSz * gridSz];
double xps[gridSz];
double yps[gridSz];
double x1 = -4, y1 = -4, x2 = 6, y2 = 6;
double dx = (x2 - x1) / gridSz, dy = (y2 - y1) / gridSz;
double maxV = 0.0;
for (size_t ix = 0; ix < gridSz; ++ix) {
auto px = x1 + ix * dx;
xps[ix] = px;
for (size_t iy = 0; iy < gridSz; ++iy) {
auto py = y1 + iy * dy;
if (ix == 0) {
yps[iy] = py;
}
RDGeom::Point2D loc(px, py);
double val = 0.0;
for (const auto &pt : pts) {
auto dv = loc - pt;
auto r = dv.length();
if (r > 0) {
val += 1 / r;
}
}
maxV = std::max(val, maxV);
grid[ix * gridSz + iy] = val;
}
}
std::vector<conrec::ConrecSegment> segs;
const size_t nContours = 10;
double isoLevels[nContours];
for (size_t i = 0; i < nContours; ++i) {
isoLevels[i] = (i + 1) * (maxV / (nContours + 1));
}
conrec::Contour(grid, 0, gridSz - 1, 0, gridSz - 1, xps, yps, nContours,
isoLevels, segs);
std::ofstream outs("./blah.svg");
outs << R"SVG(<?xml version='1.0' encoding='iso-8859-1'?>
<svg version='1.1' baseProfile='full'
xmlns='http://www.w3.org/2000/svg'
xmlns:rdkit='http://www.rdkit.org/xml'
xmlns:xlink='http://www.w3.org/1999/xlink'
xml:space='preserve'
width='300px' height='300px' >
<rect style='opacity:1.0;fill:#FFFFFF;stroke:none' width='300' height='300' x='0' y='0'> </rect>
<!-- END OF HEADER -->
)SVG";
for (const auto &seg : segs) {
outs << "<path d='M " << 40 * seg.p1.x + 150 << "," << 40 * seg.p1.y + 150
<< " " << 40 * seg.p2.x + 150 << "," << 40 * seg.p2.y + 150
<< "' "
"style='fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:"
"0.5px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:"
"1' "
"/>"
<< std::endl;
;
}
outs << "</svg>" << std::endl;
delete[] grid;
}
}
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