![]() |
IsoSpec
2.1.2
|
Public Member Functions | |
IsoStochasticGenerator (Iso &&iso, size_t no_molecules, double precision=0.9999, double beta_bias=5.0) | |
ISOSPEC_FORCE_INLINE size_t | count () const |
ISOSPEC_FORCE_INLINE double | mass () const override final |
Get the mass of the current isotopologue. More... | |
ISOSPEC_FORCE_INLINE double | prob () const override final |
Get the probability of the current isotopologue. More... | |
ISOSPEC_FORCE_INLINE double | lprob () const override final |
Get the log-probability of the current isotopologue. More... | |
ISOSPEC_FORCE_INLINE void | get_conf_signature (int *space) const override final |
Write the signature of configuration into target memory location. It must be large enough to accomodate it. | |
ISOSPEC_FORCE_INLINE bool | advanceToNextConfiguration () override final |
Advance to the next, not yet visited, most probable isotopologue. More... | |
Definition at line 542 of file isoSpec++.h.
|
inlinefinaloverridevirtual |
Advance to the next, not yet visited, most probable isotopologue.
Implements IsoSpec::IsoGenerator.
Definition at line 565 of file isoSpec++.h.
|
inlinefinaloverridevirtual |
Get the log-probability of the current isotopologue.
Reimplemented from IsoSpec::IsoGenerator.
Definition at line 561 of file isoSpec++.h.
|
inlinefinaloverridevirtual |
Get the mass of the current isotopologue.
Reimplemented from IsoSpec::IsoGenerator.
Definition at line 557 of file isoSpec++.h.
|
inlinefinaloverridevirtual |
Get the probability of the current isotopologue.
Reimplemented from IsoSpec::IsoGenerator.
Definition at line 559 of file isoSpec++.h.