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| FixedEnvelope (const FixedEnvelope &other) |
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| FixedEnvelope (FixedEnvelope &&other) |
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| FixedEnvelope (double *masses, double *probs, size_t confs_no, bool masses_sorted=false, bool probs_sorted=false, double _total_prob=NAN) |
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FixedEnvelope | operator+ (const FixedEnvelope &other) const |
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FixedEnvelope | operator* (const FixedEnvelope &other) const |
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size_t | confs_no () const |
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int | getAllDim () const |
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const double * | masses () const |
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const double * | probs () const |
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const int * | confs () const |
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double * | release_masses () |
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double * | release_probs () |
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int * | release_confs () |
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double | mass (size_t i) const |
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double | prob (size_t i) const |
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const int * | conf (size_t i) const |
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void | sort_by_mass () |
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void | sort_by_prob () |
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double | get_total_prob () |
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void | scale (double factor) |
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void | normalize () |
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double | empiric_average_mass () |
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double | empiric_variance () |
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double | empiric_stddev () |
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double | WassersteinDistance (FixedEnvelope &other) |
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double | OrientedWassersteinDistance (FixedEnvelope &other) |
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FixedEnvelope | bin (double bin_width=1.0, double middle=0.0) |
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template<bool tgetConfs> |
void | threshold_init (Iso &&iso, double threshold, bool absolute) |
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template<bool tgetConfs> |
void | addConfILG (const IsoLayeredGenerator &generator) |
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template<bool tgetConfs> |
void | total_prob_init (Iso &&iso, double target_prob, bool trim) |
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static FixedEnvelope | LinearCombination (const std::vector< const FixedEnvelope * > &spectra, const std::vector< double > &intensities) |
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static FixedEnvelope | LinearCombination (const FixedEnvelope *const *spectra, const double *intensities, size_t size) |
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static FixedEnvelope | FromThreshold (Iso &&iso, double threshold, bool absolute, bool tgetConfs=false) |
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static FixedEnvelope | FromThreshold (const Iso &iso, double _threshold, bool _absolute, bool tgetConfs=false) |
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static FixedEnvelope | FromTotalProb (Iso &&iso, double target_total_prob, bool optimize, bool tgetConfs=false) |
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static FixedEnvelope | FromTotalProb (const Iso &iso, double _target_total_prob, bool _optimize, bool tgetConfs=false) |
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template<typename T , bool tgetConfs> |
ISOSPEC_FORCE_INLINE void | store_conf (const T &generator) |
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ISOSPEC_FORCE_INLINE void | store_conf (double _mass, double _prob) |
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template<bool tgetConfs> |
ISOSPEC_FORCE_INLINE void | swap (size_t idx1, size_t idx2, ISOSPEC_MAYBE_UNUSED int *conf_swapspace) |
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template<bool tgetConfs> |
void | reallocate_memory (size_t new_size) |
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void | slow_reallocate_memory (size_t new_size) |
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double * | _masses |
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double * | _probs |
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int * | _confs |
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size_t | _confs_no |
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int | allDim |
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bool | sorted_by_mass |
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bool | sorted_by_prob |
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double | total_prob |
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size_t | current_size |
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double * | tmasses |
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double * | tprobs |
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int * | tconfs |
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int | allDimSizeofInt |
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Definition at line 31 of file fixedEnvelopes.h.
The documentation for this class was generated from the following files: