Gromacs
2024.3
|
Classes | |
class | MempoolSelelemReserver |
Reserves memory for a selection element from the evaluation memory pool. More... | |
class | MempoolGroupReserver |
Reserves memory for an index group from the evaluation memory pool. More... | |
class | SelelemTemporaryValueAssigner |
Assigns a temporary value for a selection element. More... | |
Functions | |
template<typename T > | |
void | expandValueForPositions (T value[], int *nr, gmx_ana_pos_t *pos) |
Expands a value array from one-per-position to one-per-atom. More... | |
void anonymous_namespace{evaluate.cpp}::expandValueForPositions | ( | T | value[], |
int * | nr, | ||
gmx_ana_pos_t * | pos | ||
) |
Expands a value array from one-per-position to one-per-atom.
[in,out] | value | Array to expand. |
[in,out] | nr | Number of values in value . |
[in] | pos | Position data. |
T | Value type of the array to expand. |
On input, value
contains one value for each position in pos
(and *nr
must match). On output, value
will contain a value for each atom used to evaluate pos
: each input value is replicated to all atoms that make up the corresponding position. The operation is done in-place.
Does not throw.