mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
ca206fcce6
* not really working from cmake, but can be compiled by hand * now a cmake build works * add a bunch of new stuff * lots of changes * demo * substructure highlighting (crude) and descriptors * include amw * update * cleanup * add first fingerprint * add tests * add fp * make the new stuff optional * add Dockerfile * add a readme * switch to using JSON for complex return values
28 lines
609 B
C++
28 lines
609 B
C++
//
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//
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// Copyright (C) 2019 Greg Landrum
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include <emscripten.h>
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#include <iostream>
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#include <string>
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#include <MinimalLib/minilib.h>
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EMSCRIPTEN_KEEPALIVE
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int lping() {
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std::cerr << "blah blah" << std::endl;
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return 2;
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}
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int main() {
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std::string smi = "c1ccccc1O";
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std::string csmi = canon_smiles(smi);
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std::cerr << csmi << std::endl;
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assert(smi == "Oc1ccccc1");
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} |