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jiri 2006-04-03 01:43:02 +00:00
parent dd90c8ede2
commit 1713bf0d4c
1 changed files with 14 additions and 12 deletions
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26
fourindex.h
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@ -4,6 +4,7 @@
#include <string.h>
#include <sys/types.h>
#include <unistd.h>
#include "la.h"
//element of a linked list, indices in a portable way, no bit shifts and endianity problems any more!
//note: nn is never compared with individual indices, so indexing from 1 as well as from 0 is possible
@ -38,7 +39,7 @@ struct matel4stored
};
typedef enum {nosymmetry=0, twoelectronrealmullikan=1, twoelectronrealdirac=2, T2ijab_real=3} fourindexsymtype; //only permutation-nonequivalent elements are stored
typedef enum {undefined_symmetry=-1,nosymmetry=0, twoelectronrealmullikan=1, twoelectronrealdirac=2, T2ijab_real=3} fourindexsymtype; //only permutation-nonequivalent elements are stored
// these should actually be static private members of the fourindex class, but leads to an ICE on gcc3.2
static const int fourindex_n_symmetrytypes=4;
static const int fourindex_permnumbers[fourindex_n_symmetrytypes]={1,8,8,4};
@ -91,6 +92,7 @@ public:
int permindex;
void setup(void) //make a copy of *p to my with scaled element and anti/permuted indices
{
if(symmetry==undefined_symmetry) laerror("fourindex symmetry has not been set");
if(!p) {permindex=0; memset(&my,0,sizeof(my)); return;}
for(int i=0; i<4; ++i)
my.index.packed[i] = p->index.packed[fourindex_permutations[symmetry][permindex][i]];
@ -131,8 +133,8 @@ public:
piterator pend() const {return piterator(NULL);}//inefficient, use end() or notend() instead
//constructors etc.
inline fourindex() :nn(0),count(NULL),list(NULL) {};
inline fourindex(const I n) :nn(n),count(new int(1)),list(NULL) {};
inline fourindex() :symmetry(undefined_symmetry),nn(0),count(NULL),list(NULL) {};
inline fourindex(const I n) :symmetry(undefined_symmetry),nn(n),count(new int(1)),list(NULL) {};
fourindex(const fourindex &rhs); //copy constructor
inline int getcount() const {return count?*count:0;}
fourindex & operator=(const fourindex &rhs);
@ -185,7 +187,7 @@ protected:
void next() { if(current && ++current - buffer >=nread) tryread(); }
bool eof() {return !current;};
public:
fourindex_ext(const int file, const fourindexsymtype s=nosymmetry, const I nn=0, const unsigned int b=256) :nn(n),fd(file),symmetry(s),bufsize(b) {buffer = new matel4stored<I,T>[bufsize]; current=NULL; nread=0;}
fourindex_ext(const int file, const fourindexsymtype s=undefined_symmetry, const I nn=0, const unsigned int b=256) :nn(n),fd(file),symmetry(s),bufsize(b) {buffer = new matel4stored<I,T>[bufsize]; current=NULL; nread=0;}
~fourindex_ext() {if(buffer) delete[] buffer;}
void setsymmetry(fourindexsymtype s) {symmetry=s;};
void rewind() {if(0!=lseek(fd,0L,SEEK_SET)) {perror("seek error"); la_error("cannot seek in fourindex_ext");} };
@ -229,8 +231,8 @@ while(l)
{
++n;
buf.elem= l->elem;
buf.dindex= l->index;
if(sizeof(buf)!=write(fd,buf,sizeof(buf))) la_error("write error in fourindex::put");
buf.index= l->index;
if(sizeof(buf)!=write(fd,&buf,sizeof(buf))) laerror("write error in fourindex::put");
l=l->next;
}
return n;
@ -242,7 +244,7 @@ unsigned long fourindex<I,T>::get(int fd)
{
unsigned long n=0;
matel4stored<I,T> buf;
while(sizeof(buf)==read(fd,buf,sizeof(buf))) {++n; add(buf.index,buf.elem);}
while(sizeof(buf)==read(fd,&buf,sizeof(buf))) {++n; add(buf.index,buf.elem);}
return n;
}
@ -397,7 +399,7 @@ ostream& operator<<(ostream &s, const fourindex_ext<I,T> &x)
typename fourindex<I,T>::iterator it=x.begin();
while(it!=x.end())
{
s << (int)it->index.indiv.i << ' ' << (int)it->index.indiv.j<< ' ' <<(int)it->index.indiv.k << ' ' << (int)it->index.indiv.l << ' ' << (typename LA_traits_io<T>::IOtype) it->elem << '\n';
s << (typename LA_traits_io<I>::IOtype)it->index.indiv.i << ' ' << (typename LA_traits_io<I>::IOtype)it->index.indiv.j<< ' ' <<(typename LA_traits_io<I>::IOtype)it->index.indiv.k << ' ' << (typename LA_traits_io<I>::IOtype)it->index.indiv.l << ' ' << (typename LA_traits_io<T>::IOtype) it->elem << '\n';
++it;
}
s << "-1 -1 -1 -1\n";
@ -415,7 +417,7 @@ ostream& operator<<(ostream &s, const fourindex<I,T> &x)
typename fourindex<I,T>::iterator it=x.begin(),end=x.end();
while(it!=end)
{
s << (int)it->index.indiv.i << ' ' << (int)it->index.indiv.j<< ' ' <<(int)it->index.indiv.k << ' ' << (int)it->index.indiv.l << ' ' << (typename LA_traits_io<T>::IOtype) it->elem << '\n';
s << (typename LA_traits_io<I>::IOtype)it->index.indiv.i << ' ' << (typename LA_traits_io<I>::IOtype)it->index.indiv.j<< ' ' <<(typename LA_traits_io<I>::IOtype)it->index.indiv.k << ' ' << (typename LA_traits_io<I>::IOtype)it->index.indiv.l << ' ' << (typename LA_traits_io<T>::IOtype) it->elem << '\n';
++it;
}
s << "-1 -1 -1 -1\n";
@ -425,16 +427,16 @@ ostream& operator<<(ostream &s, const fourindex<I,T> &x)
template <class I, class T>
istream& operator>>(istream &s, fourindex<I,T> &x)
{
int i,j,k,l;
typename LA_traits_io<I>::IOtype i,j,k,l;
typename LA_traits_io<T>::IOtype elem;
int n;
s >> n ;
x.resize(n);
s >> i >> j >>k >>l;
while(i>=0 && j>=0 &&k>=0 &&l>=0)
while(i!= (typename LA_traits_io<I>::IOtype)-1 && j!= (typename LA_traits_io<I>::IOtype)-1 && k != (typename LA_traits_io<I>::IOtype)-1 && l!= (typename LA_traits_io<I>::IOtype)-1)
{
s>>elem;
x.add(i,j,k,l,(T)elem);
x.add((I)i,(I)j,(I)k,(I)l,(T)elem);
s >> i >> j >>k >>l;
}
return s;