{
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  "title": "chem-bla-ics",
  "description": "Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.",
  "home_page_url": "https://chem-bla-ics.linkedchemistry.info/",
  "feed_url": "https://chem-bla-ics.linkedchemistry.info/2010/10/27/cdk-12-to-14-api-changes-2-implicit.json",
  "icon": "https://chem-bla-ics.linkedchemistry.info/assets/images/chem-bla-ics_logo.png",
  "language": "en",
  "authors": [
    {
      "name": "Egon Willighagen",
      "url": "https://orcid.org/0000-0001-7542-0286",
      "_orcid": "0000-0001-7542-0286"
    }
  ],
  "items": [

    {
      "id": "https://doi.org/10.59350/49k5k-5d465",
      "url": "https://chem-bla-ics.linkedchemistry.info/2010/10/27/cdk-12-to-14-api-changes-2-implicit.html",
      "title": "CDK 1.2 to 1.4 API changes #2: implicit hydrogens",
      "content_html": "<p>A second API change lies deep in the <a href=\"https://cdk.github.io/cdk/latest/docs/api/org/openscience/cdk/interfaces/IAtom.html\">IAtom <i class=\"fa-solid fa-recycle fa-xs\"></i></a>\ninterface. To reflect more accurately the meaning of the method, the <em>IAtomType.getHydrogenCount()</em>\nhas been renamed to <em>IAtomType.getImplicitHydrogenCount()</em>, and likewise the\nsetter methods.</p>\n\n<p><strong>CDK 1.2 code</strong></p>\n\n<div class=\"language-java highlighter-rouge\"><div class=\"highlight\"><pre class=\"highlight\"><code><span class=\"n\">carbon</span><span class=\"o\">.</span><span class=\"na\">setHydrogenCount</span><span class=\"o\">(</span><span class=\"mi\">4</span><span class=\"o\">);</span>\n</code></pre></div></div>\n\n<p><strong>CDK 1.4 code</strong></p>\n\n<div class=\"language-java highlighter-rouge\"><div class=\"highlight\"><pre class=\"highlight\"><code><span class=\"n\">carbon</span><span class=\"o\">.</span><span class=\"na\">setImplicitHydrogenCount</span><span class=\"o\">(</span><span class=\"mi\">4</span><span class=\"o\">);</span>\n</code></pre></div></div>\n\n<p>Yeah, that’s a simple one. Just to make clear, in both versions the count reflected\nthe number of implicit hydrogens. The <em>getHydrogenCount()</em> suggested, however,\nto return the number of all hydrogens attached to that atom, that is, the sum\nof implicit and explicit hydrogens.</p>",
      "summary": "A second API change lies deep in the IAtom interface. To reflect more accurately the meaning of the method, the IAtomType.getHydrogenCount() has been renamed to IAtomType.getImplicitHydrogenCount(), and likewise the setter methods.",
      
      "date_published": "2010-10-27T00:00:00+00:00",
      "date_modified": "2026-10-04T00:00:00+00:00",
      "tags": ["cdk","cheminf","java"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}