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mpqc-2.1.2-4mdk.ppc.rpm

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<hr><h1>cartiter.h</h1><div class="fragment"><pre>00001 <font class="comment">//</font>
00002 <font class="comment">// cartiter.h</font>
00003 <font class="comment">//</font>
00004 <font class="comment">// Copyright (C) 1996 Limit Point Systems, Inc.</font>
00005 <font class="comment">//</font>
00006 <font class="comment">// Author: Curtis Janssen &lt;cljanss@limitpt.com&gt;</font>
00007 <font class="comment">// Maintainer: LPS</font>
00008 <font class="comment">//</font>
00009 <font class="comment">// This file is part of the SC Toolkit.</font>
00010 <font class="comment">//</font>
00011 <font class="comment">// The SC Toolkit is free software; you can redistribute it and/or modify</font>
00012 <font class="comment">// it under the terms of the GNU Library General Public License as published by</font>
00013 <font class="comment">// the Free Software Foundation; either version 2, or (at your option)</font>
00014 <font class="comment">// any later version.</font>
00015 <font class="comment">//</font>
00016 <font class="comment">// The SC Toolkit is distributed in the hope that it will be useful,</font>
00017 <font class="comment">// but WITHOUT ANY WARRANTY; without even the implied warranty of</font>
00018 <font class="comment">// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the</font>
00019 <font class="comment">// GNU Library General Public License for more details.</font>
00020 <font class="comment">//</font>
00021 <font class="comment">// You should have received a copy of the GNU Library General Public License</font>
00022 <font class="comment">// along with the SC Toolkit; see the file COPYING.LIB.  If not, write to</font>
00023 <font class="comment">// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.</font>
00024 <font class="comment">//</font>
00025 <font class="comment">// The U.S. Government is granted a limited license as per AL 91-7.</font>
00026 <font class="comment">//</font>
00027 
00028 <font class="preprocessor">#ifndef _chemistry_qc_basis_cartiter_h</font>
00029 <font class="preprocessor"></font><font class="preprocessor">#define _chemistry_qc_basis_cartiter_h</font>
00030 <font class="preprocessor"></font>
00031 <font class="preprocessor">#ifdef __GNUC__</font>
00032 <font class="preprocessor"></font><font class="preprocessor">#pragma interface</font>
00033 <font class="preprocessor"></font><font class="preprocessor">#endif</font>
00034 <font class="preprocessor"></font>
00035 <font class="keyword">namespace </font>sc {
00036 
<a name="l00039"></a><a class="code" href="class_sc__CartesianIter.html">00039</a> <font class="keyword">class </font>CartesianIter {
00040   <font class="keyword">protected</font>:
00041     <font class="keywordtype">int</font> a_;
00042     <font class="keywordtype">int</font> b_;
00043     <font class="keywordtype">int</font> c_;
00044     <font class="keywordtype">int</font> l_;
00045     <font class="keywordtype">int</font> bfn_;
00046 
00047   <font class="keyword">public</font>:
00049     <a class="code" href="class_sc__CartesianIter.html#a0">CartesianIter</a>(<font class="keywordtype">int</font> l);
00050     <font class="keyword">virtual</font> ~CartesianIter();
00051 
00053     <font class="keyword">virtual</font> <font class="keywordtype">void</font> <a class="code" href="class_sc__CartesianIter.html#a2">start</a>() =0;
00055     <font class="keyword">virtual</font> <font class="keywordtype">void</font> <a class="code" href="class_sc__CartesianIter.html#a3">next</a>() =0;
00057     <font class="keyword">virtual</font> <a class="code" href="class_sc__CartesianIter.html#a4">operator int</a>() =0;
00058 
<a name="l00060"></a><a class="code" href="class_sc__CartesianIter.html#a5">00060</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__CartesianIter.html#a5">n</a>()<font class="keyword"> </font>{ <font class="keywordflow">return</font> ((l_&gt;=0)?((((l_)+2)*((l_)+1))&gt;&gt;1):0); }
<a name="l00062"></a><a class="code" href="class_sc__CartesianIter.html#a6">00062</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__CartesianIter.html#a6">a</a>()<font class="keyword"> </font>{ <font class="keywordflow">return</font> a_; }
<a name="l00064"></a><a class="code" href="class_sc__CartesianIter.html#a7">00064</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__CartesianIter.html#a7">b</a>()<font class="keyword"> </font>{ <font class="keywordflow">return</font> b_; }
<a name="l00066"></a><a class="code" href="class_sc__CartesianIter.html#a8">00066</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__CartesianIter.html#a8">c</a>()<font class="keyword"> </font>{ <font class="keywordflow">return</font> c_; }
<a name="l00068"></a><a class="code" href="class_sc__CartesianIter.html#a9">00068</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__CartesianIter.html#a9">l</a>()<font class="keyword"> </font>{ <font class="keywordflow">return</font> l_; }
<a name="l00070"></a><a class="code" href="class_sc__CartesianIter.html#a10">00070</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__CartesianIter.html#a9">l</a>(<font class="keywordtype">int</font> i)<font class="keyword"> </font>{ <font class="keywordflow">return</font> i ? (i==1 ? b_ : c_) : a_; }
<a name="l00073"></a><a class="code" href="class_sc__CartesianIter.html#a11">00073</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__CartesianIter.html#a11">bfn</a>()<font class="keyword"> </font>{ <font class="keywordflow">return</font> bfn_; }
00074 };
00075 
<a name="l00080"></a><a class="code" href="class_sc__RedundantCartesianIter.html">00080</a> <font class="keyword">class </font>RedundantCartesianIter {
00081   <font class="keyword">private</font>:
00082     <font class="keywordtype">int</font> done_;
00083     <font class="keywordtype">int</font> l_;
00084     <font class="keywordtype">int</font> *axis_;
00085 
00086   <font class="keyword">public</font>:
00088     <a class="code" href="class_sc__RedundantCartesianIter.html#a0">RedundantCartesianIter</a>(<font class="keywordtype">int</font> l);
00089     <font class="keyword">virtual</font> ~RedundantCartesianIter();
00090 
00092     <font class="keyword">virtual</font> <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a2">bfn</a>() =0;
00093 
00095     <font class="keywordtype">void</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a3">start</a>();
00097     <font class="keywordtype">void</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a4">next</a>();
<a name="l00099"></a><a class="code" href="class_sc__RedundantCartesianIter.html#a5">00099</a>     <a class="code" href="class_sc__RedundantCartesianIter.html#a5">operator int</a>()<font class="keyword"> </font>{ <font class="keywordflow">return</font> !done_; }
00100 
00102     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a6">a</a>();
00104     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a7">b</a>();
00106     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a8">c</a>();
<a name="l00108"></a><a class="code" href="class_sc__RedundantCartesianIter.html#a9">00108</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a9">l</a>()<font class="keyword"> </font>{ <font class="keywordflow">return</font> l_; }
00110     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a9">l</a>(<font class="keywordtype">int</font> i);
<a name="l00112"></a><a class="code" href="class_sc__RedundantCartesianIter.html#a11">00112</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a11">axis</a>(<font class="keywordtype">int</font> i)<font class="keyword"> </font>{ <font class="keywordflow">return</font> axis_[i]; }
00113 };
00114 
00115 <font class="keyword">inline</font> <font class="keywordtype">void</font>
<a name="l00116"></a><a class="code" href="class_sc__RedundantCartesianIter.html#a3">00116</a> RedundantCartesianIter::start()<font class="keyword"></font>
00117 <font class="keyword"></font>{
00118   <font class="keywordflow">if</font> (l_==0)
00119     done_ = 1;
00120   <font class="keywordflow">else</font>
00121     done_ = 0;
00122 
00123   <font class="keywordflow">for</font> (<font class="keywordtype">int</font> i=0; i&lt;l_; i++)
00124     axis_[i] = 0;
00125 }
00126 
00127 <font class="keyword">inline</font> <font class="keywordtype">void</font>
<a name="l00128"></a><a class="code" href="class_sc__RedundantCartesianIter.html#a4">00128</a> RedundantCartesianIter::next()<font class="keyword"></font>
00129 <font class="keyword"></font>{
00130   <font class="keywordflow">for</font> (<font class="keywordtype">int</font> i=0; i&lt;l_; i++) {
00131     <font class="keywordflow">if</font> (axis_[i] == 2)
00132       axis_[i] = 0;
00133     <font class="keywordflow">else</font> {
00134       axis_[i]++;
00135       <font class="keywordflow">return</font>;
00136     }
00137   }
00138   done_ = 1;
00139 }
00140 
00141 <font class="keyword">inline</font> <font class="keywordtype">int</font>
<a name="l00142"></a><a class="code" href="class_sc__RedundantCartesianIter.html#a10">00142</a> RedundantCartesianIter::l(<font class="keywordtype">int</font> axis)<font class="keyword"></font>
00143 <font class="keyword"></font>{
00144   <font class="keywordtype">int</font> i;
00145   <font class="keywordtype">int</font> r = 0;
00146   <font class="keywordflow">for</font> (i=0; i&lt;l_; i++) <font class="keywordflow">if</font> (axis_[i]==axis) r++;
00147   <font class="keywordflow">return</font> r;
00148 }
00149 
00150 <font class="keyword">inline</font> <font class="keywordtype">int</font>
<a name="l00151"></a><a class="code" href="class_sc__RedundantCartesianIter.html#a6">00151</a> RedundantCartesianIter::a()<font class="keyword"></font>
00152 <font class="keyword"></font>{
00153   <font class="keywordflow">return</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a9">l</a>(0);
00154 }
00155 
00156 <font class="keyword">inline</font> <font class="keywordtype">int</font>
<a name="l00157"></a><a class="code" href="class_sc__RedundantCartesianIter.html#a7">00157</a> RedundantCartesianIter::b()<font class="keyword"></font>
00158 <font class="keyword"></font>{
00159   <font class="keywordflow">return</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a9">l</a>(1);
00160 }
00161 
00162 <font class="keyword">inline</font> <font class="keywordtype">int</font>
<a name="l00163"></a><a class="code" href="class_sc__RedundantCartesianIter.html#a8">00163</a> RedundantCartesianIter::c()<font class="keyword"></font>
00164 <font class="keyword"></font>{
00165   <font class="keywordflow">return</font> <a class="code" href="class_sc__RedundantCartesianIter.html#a9">l</a>(2);
00166 }
00167 
<a name="l00170"></a><a class="code" href="class_sc__RedundantCartesianSubIter.html">00170</a> <font class="keyword">class </font>RedundantCartesianSubIter {
00171   <font class="keyword">private</font>:
00172     <font class="keywordtype">int</font> done_;
00173     <font class="keywordtype">int</font> l_;
00174     <font class="keywordtype">int</font> e_[3];
00175     <font class="keywordtype">int</font> *axis_;
00176 
00177     <font class="comment">// the locations of the z's in the axis array</font>
00178     <font class="keywordtype">int</font> *zloc_;
00179     <font class="comment">// the locations of the y's in the subarray after the z's are removed</font>
00180     <font class="keywordtype">int</font> *yloc_;
00181 
00182     <font class="keywordtype">int</font> valid();
00183 
00184   <font class="keyword">public</font>:
00186     <a class="code" href="class_sc__RedundantCartesianSubIter.html#a0">RedundantCartesianSubIter</a>(<font class="keywordtype">int</font> l);
00187     <font class="keyword">virtual</font> ~RedundantCartesianSubIter();
00188 
00190     <font class="keyword">virtual</font> <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianSubIter.html#a2">bfn</a>() =0;
00191 
00194     <font class="keywordtype">void</font> <a class="code" href="class_sc__RedundantCartesianSubIter.html#a3">start</a>(<font class="keywordtype">int</font> a, <font class="keywordtype">int</font> b, <font class="keywordtype">int</font> c);
00196     <font class="keywordtype">void</font> <a class="code" href="class_sc__RedundantCartesianSubIter.html#a4">next</a>();
<a name="l00198"></a><a class="code" href="class_sc__RedundantCartesianSubIter.html#a5">00198</a>     <a class="code" href="class_sc__RedundantCartesianSubIter.html#a5">operator int</a>()<font class="keyword"> const </font>{ <font class="keywordflow">return</font> !done_; }
00199 
<a name="l00201"></a><a class="code" href="class_sc__RedundantCartesianSubIter.html#a6">00201</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianSubIter.html#a6">a</a>()<font class="keyword"> const </font>{ <font class="keywordflow">return</font> e_[0]; }
<a name="l00203"></a><a class="code" href="class_sc__RedundantCartesianSubIter.html#a7">00203</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianSubIter.html#a7">b</a>()<font class="keyword"> const </font>{ <font class="keywordflow">return</font> e_[1]; }
<a name="l00205"></a><a class="code" href="class_sc__RedundantCartesianSubIter.html#a8">00205</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianSubIter.html#a8">c</a>()<font class="keyword"> const </font>{ <font class="keywordflow">return</font> e_[2]; }
<a name="l00207"></a><a class="code" href="class_sc__RedundantCartesianSubIter.html#a9">00207</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianSubIter.html#a9">l</a>()<font class="keyword"> const </font>{ <font class="keywordflow">return</font> l_; }
<a name="l00209"></a><a class="code" href="class_sc__RedundantCartesianSubIter.html#a10">00209</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianSubIter.html#a9">l</a>(<font class="keywordtype">int</font> i)<font class="keyword"> </font>{ <font class="keywordflow">return</font> e_[i]; }
<a name="l00211"></a><a class="code" href="class_sc__RedundantCartesianSubIter.html#a11">00211</a>     <font class="keywordtype">int</font> <a class="code" href="class_sc__RedundantCartesianSubIter.html#a11">axis</a>(<font class="keywordtype">int</font> i)<font class="keyword"> </font>{ <font class="keywordflow">return</font> axis_[i]; }
00212 };
00213 
00214 }
00215   
00216 <font class="preprocessor">#endif</font>
00217 <font class="preprocessor"></font>
00218 <font class="comment">// Local Variables:</font>
00219 <font class="comment">// mode: c++</font>
00220 <font class="comment">// c-file-style: "ETS"</font>
00221 <font class="comment">// End:</font>
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