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cartiter.h
1 //
2 // cartiter.h
3 //
4 // Copyright (C) 1996 Limit Point Systems, Inc.
5 //
6 // Author: Curtis Janssen <cljanss@limitpt.com>
7 // Maintainer: LPS
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27
28 #ifndef _chemistry_qc_basis_cartiter_h
29 #define _chemistry_qc_basis_cartiter_h
30
31 #ifdef __GNUC__
32 #pragma interface
33 #endif
34
35 namespace sc {
36
39 class CartesianIter {
40 protected:
41 int a_;
42 int b_;
43 int c_;
44 int l_;
45 int bfn_;
46
47 public:
49 CartesianIter(int l);
50 virtual ~CartesianIter();
51
53 virtual void start() =0;
55 virtual void next() =0;
57 virtual operator int() =0;
58
60 int n() { return ((l_>=0)?((((l_)+2)*((l_)+1))>>1):0); }
62 int a() { return a_; }
64 int b() { return b_; }
66 int c() { return c_; }
68 int l() { return l_; }
70 int l(int i) { return i ? (i==1 ? b_ : c_) : a_; }
73 int bfn() { return bfn_; }
74 };
75
80 class RedundantCartesianIter {
81 private:
82 int done_;
83 int l_;
84 int *axis_;
85
86 public:
88 RedundantCartesianIter(int l);
89 virtual ~RedundantCartesianIter();
90
92 virtual int bfn() =0;
93
95 void start();
97 void next();
99 operator int() { return !done_; }
100
102 int a();
104 int b();
106 int c();
108 int l() { return l_; }
110 int l(int i);
112 int axis(int i) { return axis_[i]; }
113 };
114
115 inline void
116 RedundantCartesianIter::start()
117 {
118 if (l_==0)
119 done_ = 1;
120 else
121 done_ = 0;
122
123 for (int i=0; i<l_; i++)
124 axis_[i] = 0;
125 }
126
127 inline void
128 RedundantCartesianIter::next()
129 {
130 for (int i=0; i<l_; i++) {
131 if (axis_[i] == 2)
132 axis_[i] = 0;
133 else {
134 axis_[i]++;
135 return;
136 }
137 }
138 done_ = 1;
139 }
140
141 inline int
142 RedundantCartesianIter::l(int axis)
143 {
144 int i;
145 int r = 0;
146 for (i=0; i<l_; i++) if (axis_[i]==axis) r++;
147 return r;
148 }
149
150 inline int
151 RedundantCartesianIter::a()
152 {
153 return l(0);
154 }
155
156 inline int
157 RedundantCartesianIter::b()
158 {
159 return l(1);
160 }
161
162 inline int
163 RedundantCartesianIter::c()
164 {
165 return l(2);
166 }
167
170 class RedundantCartesianSubIter {
171 private:
172 int done_;
173 int l_;
174 int e_[3];
175 int *axis_;
176
177 // the locations of the z's in the axis array
178 int *zloc_;
179 // the locations of the y's in the subarray after the z's are removed
180 int *yloc_;
181
182 int valid();
183
184 public:
186 RedundantCartesianSubIter(int l);
187 virtual ~RedundantCartesianSubIter();
188
190 virtual int bfn() =0;
191
194 void start(int a, int b, int c);
196 void next();
198 operator int() const { return !done_; }
199
201 int a() const { return e_[0]; }
203 int b() const { return e_[1]; }
205 int c() const { return e_[2]; }
207 int l() const { return l_; }
209 int l(int i) { return e_[i]; }
211 int axis(int i) { return axis_[i]; }
212 };
213
214 }
215
216 #endif
217
218 // Local Variables:
219 // mode: c++
220 // c-file-style: "ETS"
221 // End: