.TH "IsoSpec::MarginalTrek" 3 "Version 2.2.1" "IsoSpec" \" -*- nroff -*-
.ad l
.nh
.SH NAME
IsoSpec::MarginalTrek \- The marginal distribution class (a subisotopologue)\&.  

.SH SYNOPSIS
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.PP
.PP
\fC#include <marginalTrek++\&.h>\fP
.PP
Inherits \fBIsoSpec::Marginal\fP\&.
.SS "Public Member Functions"

.in +1c
.ti -1c
.RI "\fBMarginalTrek\fP (\fBMarginal\fP &&m, int tabSize=1000, int hashSize=1000)"
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.RI "Move constructor: specializes the \fBMarginal\fP class\&. "
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.RI "\fBMarginalTrek\fP (const \fBMarginalTrek\fP &other)=delete"
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.RI "\fBMarginalTrek\fP & \fBoperator=\fP (const \fBMarginalTrek\fP &other)=delete"
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.RI "bool \fBprobeConfigurationIdx\fP (int idx)"
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.RI "Check if the table of computed subisotopologues does not have to be extended\&. "
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.RI "double \fBgetModeLProb\fP () const"
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.RI "Get the log-probability of the mode subisotopologue\&. "
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.RI "const \fBpod_vector\fP< double > & \fBconf_lprobs\fP () const"
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.RI "const \fBpod_vector\fP< double > & \fBconf_masses\fP () const"
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.RI "const \fBpod_vector\fP< Conf > & \fBconfs\fP () const"
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Public Member Functions inherited from \fBIsoSpec::Marginal\fP
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.RI "\fBMarginal\fP (const double *_masses, const double *_probs, int _isotopeNo, int _atomCnt)"
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.RI "Class constructor\&. "
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.RI "\fBMarginal\fP & \fBoperator=\fP (const \fBMarginal\fP &other)=delete"
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.RI "\fBMarginal\fP (const \fBMarginal\fP &other)"
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.RI "Copy constructor\&. "
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.RI "\fBMarginal\fP (\fBMarginal\fP &&other)"
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.RI "Move constructor\&. "
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.RI "virtual \fB~Marginal\fP ()"
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.RI "Destructor\&. "
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.RI "int \fBget_isotopeNo\fP () const"
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.RI "Get the number of isotopes of the investigated element\&. "
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.RI "const double * \fBget_lProbs\fP () const"
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.RI "double \fBgetLightestConfMass\fP () const"
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.RI "Get the mass of the lightest subisotopologue\&. "
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.RI "double \fBgetHeaviestConfMass\fP () const"
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.RI "Get the mass of the heaviest subisotopologue\&. "
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.RI "double \fBgetMonoisotopicConfMass\fP () const"
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.RI "Get the mass of the monoisotopic subisotopologue\&. "
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.RI "double \fBgetModeMass\fP ()"
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.RI "The the mass of the mode subisotopologue\&. "
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.RI "double \fBgetModeLProb\fP ()"
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.RI "Get the log-probability of the mode subisotopologue\&. "
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.RI "double \fBfastGetModeLProb\fP ()"
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.RI "Get the log-probability of the mode subisotopologue\&. Results undefined if ensureModeConf() wasn't called before\&. "
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.RI "Conf \fBcomputeModeConf\fP () const"
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.RI "The the probability of the mode subisotopologue\&. "
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.RI "double \fBgetSmallestLProb\fP () const"
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.RI "The the log-probability of the lightest subisotopologue\&. "
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.RI "double \fBgetAtomAverageMass\fP () const"
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.RI "The average mass of a single atom\&. "
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.RI "double \fBgetTheoreticalAverageMass\fP () const"
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.RI "The theoretical average mass of the molecule\&. "
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.RI "double \fBvariance\fP () const"
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.RI "Calculate the variance of the theoretical distribution describing the subisotopologue\&. "
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.RI "double \fBgetLogSizeEstimate\fP (double logEllipsoidRadius) const"
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.RI "Return estimated logarithm of size of the marginal at a given ellipsoid radius\&. "
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.RI "void \fBensureModeConf\fP ()"
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.SS "Additional Inherited Members"


Protected Member Functions inherited from \fBIsoSpec::Marginal\fP
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.RI "ISOSPEC_FORCE_INLINE double \fBunnormalized_logProb\fP (Conf conf) const"
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.RI "Calculate the log-probability of a given subisotopologue\&. "
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.RI "ISOSPEC_FORCE_INLINE double \fBlogProb\fP (Conf conf) const"
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Protected Attributes inherited from \fBIsoSpec::Marginal\fP
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.RI "const unsigned int \fBisotopeNo\fP"
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.RI "const unsigned int \fBatomCnt\fP"
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.RI "const double *const \fBatom_lProbs\fP"
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.RI "const double *const \fBatom_masses\fP"
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.RI "const double \fBloggamma_nominator\fP"
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.RI "Conf \fBmode_conf\fP"
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.RI "double \fBmode_lprob\fP"
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.SH "Detailed Description"
.PP 
The marginal distribution class (a subisotopologue)\&. 
.PP
Definition at line \fB175\fP of file \fBmarginalTrek++\&.h\fP\&.
.SH "Constructor & Destructor Documentation"
.PP 
.SS "IsoSpec::MarginalTrek::MarginalTrek (\fBMarginal\fP && m, int tabSize = \fC1000\fP, int hashSize = \fC1000\fP)"

.PP
Move constructor: specializes the \fBMarginal\fP class\&. 
.PP
\fBParameters\fP
.RS 4
\fItabSize\fP The size of the table used to store configurations in the allocator\&. 
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\fIhashSize\fP The size of the hash table used to store visited subisotopologues\&. 
.RE
.PP

.PP
Definition at line \fB323\fP of file \fBmarginalTrek++\&.cpp\fP\&.
.SS "IsoSpec::MarginalTrek::~MarginalTrek ()\fC [virtual]\fP"

.PP
Definition at line \fB434\fP of file \fBmarginalTrek++\&.cpp\fP\&.
.SH "Member Function Documentation"
.PP 
.SS "const \fBpod_vector\fP< double > & IsoSpec::MarginalTrek::conf_lprobs () const\fC [inline]\fP"

.PP
Definition at line \fB233\fP of file \fBmarginalTrek++\&.h\fP\&.
.SS "const \fBpod_vector\fP< double > & IsoSpec::MarginalTrek::conf_masses () const\fC [inline]\fP"

.PP
Definition at line \fB234\fP of file \fBmarginalTrek++\&.h\fP\&.
.SS "const \fBpod_vector\fP< Conf > & IsoSpec::MarginalTrek::confs () const\fC [inline]\fP"

.PP
Definition at line \fB235\fP of file \fBmarginalTrek++\&.h\fP\&.
.SS "double IsoSpec::MarginalTrek::getModeLProb () const\fC [inline]\fP"

.PP
Get the log-probability of the mode subisotopologue\&. 
.PP
\fBReturns\fP
.RS 4
The log-probability of a/the most probable subisotopologue\&. 
.RE
.PP

.PP
Definition at line \fB230\fP of file \fBmarginalTrek++\&.h\fP\&.
.SS "bool IsoSpec::MarginalTrek::probeConfigurationIdx (int idx)\fC [inline]\fP"

.PP
Check if the table of computed subisotopologues does not have to be extended\&. This function checks if the idx-th most probable subisotopologue was memoized and if not, computes it and memoizes it\&.
.PP
\fBParameters\fP
.RS 4
\fIidx\fP The number of the idx-th most probable subisotopologue\&. 
.RE
.PP
\fBReturns\fP
.RS 4
Returns false if it the provided idx exceeds the total number of subisotopologues\&. 
.RE
.PP

.PP
Definition at line \fB218\fP of file \fBmarginalTrek++\&.h\fP\&.

.SH "Author"
.PP 
Generated automatically by Doxygen for IsoSpec from the source code\&.