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cartitv3.h
1 //
2 // cartitv3.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_intv3_cartitv3_h
29 #define _chemistry_qc_intv3_cartitv3_h
30
31 #include <chemistry/qc/basis/cartiter.h>
32
33 namespace sc {
34
35 class CartesianIterV3 : public CartesianIter {
36 public:
37 CartesianIterV3(int l) : CartesianIter(l) {}
38
39 void start() {
40 bfn_=a_=c_=0;
41 b_=l_;
42 }
43
44 void next() {
45 if (c_<l_-a_)
46 c_++;
47 else {
48 c_=0;
49 a_++;
50 }
51 bfn_++;
52 b_ = l_-a_-c_;
53 }
54
55 operator int() {
56 return (a_ <= l_);
57 }
58 };
59
60 class RedundantCartesianIterV3 : public RedundantCartesianIter {
61 public:
62 RedundantCartesianIterV3(int l) : RedundantCartesianIter(l) {}
63
64 int bfn() {
65 int i = a();
66 int j = b();
67 int am = l();
68 return (((((((am)+1)<<1)-(i))*((i)+1))>>1)-(j)-1);
69 }
70 };
71
72 class RedundantCartesianSubIterV3 : public RedundantCartesianSubIter {
73 public:
74 RedundantCartesianSubIterV3(int l) : RedundantCartesianSubIter(l) {}
75
76 int bfn() {
77 int i = a();
78 int j = b();
79 int am = l();
80 return (((((((am)+1)<<1)-(i))*((i)+1))>>1)-(j)-1);
81 }
82 };
83
84 }
85
86 #endif
87
88 // Local Variables:
89 // mode: c++
90 // c-file-style: "CLJ"
91 // End: