/**********************************************************************
*
* set_pos
*
* Sets nullable, firstpos and lastpos in whole tree.
*/
static bool set_pos(void)
{
REG1 int i;
REG2 node_t* tnode = rbuf.tree;
for (i = 0; i <= rbuf.root; i++, tnode++) {
nullable(tnode);
if ((tnode->firstpos = calloc(rbuf.setsize, 1)) == NULL)
return FALSE;
firstpos(i, tnode);
if ((tnode->lastpos = calloc(rbuf.setsize, 1)) == NULL)
return FALSE;
lastpos(i, tnode);
}
return TRUE;
}
void
OPStructureImaging::printImage()
{
for (const shared_ptr<IDRange>& prange : Sim->topology[id]->getMolecules())
{
std::vector<Vector > atomDescription;
Vector lastpos(Sim->particles[*prange->begin()].getPosition());
Vector masspos(0,0,0);
double sysMass(0.0);
Vector sumrij(0,0,0);
for (const size_t& pid : *prange)
{
//This is all to make sure we walk along the structure
const Particle& part(Sim->particles[pid]);
Vector rij = part.getPosition() - lastpos;
lastpos = part.getPosition();
Sim->BCs->applyBC(rij);
sumrij += rij;
double pmass = Sim->species(part)->getMass(pid);
sysMass += pmass;
masspos += sumrij * pmass;
atomDescription.push_back(sumrij);
}
masspos /= sysMass;
for (Vector & rijpos : atomDescription)
rijpos -= masspos;
//We use a trick to not copy the vector, just swap it over
imagelist.push_back(std::vector<Vector >());
std::swap(imagelist.back(), atomDescription);
}
}
int
main(
)
{
/* upcase() && lowcase() */
{
char foo[64];
sprintf(foo, "foobar");
printf("Before case-conversion: '%s'\n", foo);
upcase(foo);
printf("After upcase: '%s'\n", foo);
lowcase(foo);
printf("After lowcase: '%s'\n", foo);
sprintf(foo, "unicode öä ¹²³");
printf("Before case-conversion: '%s'\n", foo);
upcase(foo);
printf("After upcase: '%s'\n", foo);
lowcase(foo);
printf("After lowcase: '%s'\n", foo);
}
/* randname() */
{
char foo[64];
int i, j;
#define LEN 8
for (i = 0; i < 2; i++) {
switch (i) {
case 0:
sprintf(foo, "user");
break;
case 1:
sprintf(foo, "username");
break;
}
printf("randname: starting with '%s' (len = %d)\n", foo, LEN);
for (j = 0; j < LEN * 2; j++) {
randname(foo, LEN, '#');
printf("round %02d: '%s'\n", j, foo);
}
}
printf("Generating random stuff:\n");
for (i = 0; i < 4; i++) {
foo[0] = '\0';
randname(foo, LEN, '#');
printf("round %d: '%s'\n", i, foo);
}
}
/* pos() && lastpos() */
{
char foo[64];
sprintf(foo, "There is no greater power in the universe than "
"the need for freedom.");
printf("String: '%s'\n", foo);
printf("First occurance of 'o' is at %d\n", pos(foo, 'o'));
printf("Last occurance of 'o' is at %d\n", lastpos(foo, 'o'));
}
/* nextword() && lastword() */
{
char foo[64];
char *ptr;
sprintf(foo, "There is no greater power in the universe than "
"the need for freedom.");
printf("Words (after the first one):\n");
ptr = nextword(foo);
while (ptr != NULL) {
printf("'%s'\n", ptr);
ptr = nextword(ptr);
}
printf("Last word: '%s'\n", lastword(foo));
}
/* get_short_localtime() && get_timestamp() */
{
time_t t;
t = rand();
printf("Some timestamps:\n");
printf("Localtime: '%s'\n", get_short_localtime());
printf("Long: '%s'\n", get_timestamp(NULL, TIMESTAMP_LONG));
printf("Short: '%s'\n", get_timestamp(NULL, TIMESTAMP_SHORT));
printf("Abritary: '%s'\n", get_timestamp(&t, TIMESTAMP_LONG));
}
return 0;
}