source: doc/class structure.uxf@ 21c246

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 21c246 was b28524, checked in by Frederik Heber <heber@…>, 16 years ago

Added class diagramm to documentation directory Signed-off-by: Tillmann Crueger <crueger@…>
  • Property mode set to 100644
File size: 21.2 KB
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1<?xml version="1.0" encoding="UTF-8"?><umlet_diagram><help_text>// Uncomment the following line to change the fontsize:
2// fontsize=14
3
4
5//////////////////////////////////////////////////////////////////////////////////////////////
6// Welcome to UMLet!
7//
8// Double-click on UML elements to add them to the diagram, or to copy them
9// Edit elements by modifying the text in this panel
10// Hold Ctrl to select multiple elements
11// Use Ctrl+mouse to select via lasso
12//
13// Use ± or Ctrl+mouse wheel to zoom
14// Drag a whole relation at its central square icon
15//
16// Press Ctrl+C to copy the whole diagram to the system clipboard (then just paste it to, eg, Word)
17// Edit the files in the "palettes" directory to create your own element palettes
18//
19// Select "Custom Elements &gt; New..." to create new element types
20//////////////////////////////////////////////////////////////////////////////////////////////
21
22
23// This text will be stored with each diagram; use it for notes.</help_text><zoom_level>10</zoom_level><element><type>com.umlet.element.base.Class</type><coordinates><x>2650</x><y>300</y><w>210</w><h>100</h></coordinates><panel_attributes>AtomInfo
24--
25-x,v,F: Vector
26 element *type; //!&lt; pointing to element
27--
28#AtomInfo();
29#~AtomInfo();
30</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2350</x><y>330</y><w>320</w><h>50</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>300;30;30;30</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1820</x><y>90</y><w>560</w><h>370</h></coordinates><panel_attributes>Element
31--
32mass: double
33CovalentRadius: double
34VanDerWaalsRadius: double
35Z: int
36name: char[64]
37symbol: char[3]
38period: char[8]
39group: char[8]
40block: char[8]
41sort: int *
42No: int
43Valence: double
44NoValenceOrbitals: int
45HBondDistance: double[NDIM]
46HBondAngle: double[NDIM]
47--
48#element();
49#~element();
50#Output(ofstream * const out) const: bool
51#Checkout(ofstream * const out, const int No, const int NoOfAtoms) const: bool</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2800</x><y>640</y><w>400</w><h>230</h></coordinates><panel_attributes>BondedParticle
52--
53--
54#Operation(i: int): int
55#BondedParticle()
56/+virtual ~BondedParticle()/
57#RegisterBond(bond *Binder): bool
58#UnregisterBond(bond *Binder): bool
59#IsBondedTo(BondedParticle * const BondPartner): bool
60#UnregisterAllBond();
61#CountBonds() const: int
62#CorrectBondDegree(): int
63#OutputBondOfAtom() const
64#OutputAdjacency(ofstream *AdjacencyFile) const
65#OutputOrder(ofstream *file) const</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>3120</x><y>370</y><w>370</w><h>290</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>350;30;350;220;30;220;30;270</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2750</x><y>370</y><w>420</w><h>290</h></coordinates><panel_attributes>lt=&lt;&lt;-
66</panel_attributes><additional_attributes>30;30;30;220;400;220;400;270</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>3120</x><y>370</y><w>50</w><h>290</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>30;30;30;270</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>3370</x><y>300</y><w>210</w><h>100</h></coordinates><panel_attributes>BondedParticleInfo
67--
68AdaptiveOrder: unsigned char
69MaxOrder: bool
70--
71#BondedParticleInfo()
72#~BondedParticleInfo()
73</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2970</x><y>280</y><w>310</w><h>120</h></coordinates><panel_attributes>ParticleInfo
74--
75nr: int
76Name: char *
77--
78#ParticleInfo()
79#~ParticleInfo()
80#ostream &amp; operator &lt;&lt; (ostream &amp;ost) const
81</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>3550</x><y>330</y><w>250</w><h>50</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>30;30;230;30</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>3780</x><y>230</y><w>210</w><h>190</h></coordinates><panel_attributes>BondList
82{Some Properties}
83--
84-id: Long
85_-ClassAttribute: Long_
86--
87#Operation(i: int): int
88/+AbstractOperation()/
89--
90Responsibilities
91-- Resp1
92*-- Resp2*</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1960</x><y>490</y><w>210</w><h>150</h></coordinates><panel_attributes>GraphNodeInfo
93--
94--
95GraphNr: int
96ComponentNr: int *
97LowpointNr: int
98SeparationVertex: bool
99IsCyclic: bool
100
101--
102#GraphNodeInfo()
103#~GraphNodeInfo()
104</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2120</x><y>750</y><w>180</w><h>100</h></coordinates><panel_attributes>GraphNode
105--
106--
107#GraphNode()
108/+~GraphNode()/
109#OutputGraphInfo() const
110#OutputComponentNumber() const
111</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2120</x><y>370</y><w>1070</w><h>400</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>1050;30;1050;100;310;100;310;300;30;300;30;380</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2120</x><y>610</y><w>50</w><h>160</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>30;30;30;140</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1840</x><y>960</y><w>840</w><h>350</h></coordinates><panel_attributes>Atom
112--
113sort: int*
114--
115#atom()
116#atom(class atom *pointer)
117/+~atom()/
118#OutputIndexed(ofstream * const out, const int ElementNo, const int AtomNo, const char *comment = NULL) const: bool
119#OutputArrayIndexed(ofstream * const out, const int *ElementNo, int *AtomNo, const char *comment = NULL) const: bool
120#OutputXYZLine(ofstream *out) const: bool
121#OutputTrajectory(ofstream * const out, const int *ElementNo, int *AtomNo, const int step) const: bool
122#OutputTrajectoryXYZ(ofstream * const out, const int step) const: bool
123#OutputMPQCLine(ofstream * const out, const Vector *center, int *AtomNo) const
124#InitComponentNr()
125#EqualsFather ( const atom *ptr, const atom **res ) const
126#CorrectFather()
127#GetTrueFather(): atom *
128#Compare(const atom &amp;ptr) const: bool
129#DistanceToVector(const Vector &amp;origin) const: double
130#DistanceSquaredToVector(const Vector &amp;origin) const: double
131#IsInParallelepiped(const Vector offset, const double *parallelepiped) const: bool</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1970</x><y>610</y><w>120</w><h>370</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>30;30;30;260;100;260;100;350</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>3180</x><y>950</y><w>720</w><h>300</h></coordinates><panel_attributes>TrajectoryParticle
132--
133--
134#TrajectoryParticle()
135/+~TrajectoryParticle()/
136#AddKineticToTemperature(double *temperature, int step) const
137#EvaluateConstrainedForce(int startstep, int endstep, atom **PermutationMap, ForceMatrix *Force) const
138#CorrectVelocity(double *ActualTemp, int Step, Vector *CoGVelocity)
139#ResizeTrajectory(int MaxSteps)
140#CopyStepOnStep(int dest, int src)
141#VelocityVerletUpdate(int MDSteps, config *configuration, ForceMatrix *Force)
142#SumUpKineticEnergy( int Step, double *TotalMass, Vector *TotalVelocity ) const
143#Thermostat_Woodcock(double ScaleTempFactor, int Step, double *ekin)
144#Thermostat_Gaussian_init(int Step, double *G, double *E)
145#Thermostat_Gaussian_least_constraint(int Step, double G_over_E, double *ekin, config *configuration)
146#Thermostat_Langevin(int Step, gsl_rng * r, double *ekin, config *configuration)
147#Thermostat_Berendsen(int Step, double ScaleTempFactor, double *ekin, config *configuration)
148#Thermostat_NoseHoover_init(int Step, double *delta_alpha)
149#Thermostat_NoseHoover_scale(int Step, double *ekin, config *configuration)</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>3070</x><y>370</y><w>300</w><h>600</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>30;30;30;160;280;160;280;580</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2810</x><y>370</y><w>560</w><h>600</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>30;30;30;160;540;160;540;580</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2310</x><y>700</y><w>290</w><h>100</h></coordinates><panel_attributes>TrajectoryParticleInfo
150--
151Trajectory: struct {vector&lt;Vector&gt; R,U,V}
152FixedIon: int
153--
154#TrajectoryParticleInfo()
155#~TrajectoryParticleInfo()</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2510</x><y>770</y><w>860</w><h>200</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>30;30;30;150;840;150;840;180</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2470</x><y>770</y><w>50</w><h>210</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>30;30;30;190</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2170</x><y>820</y><w>350</w><h>160</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>30;30;30;80;330;80;330;140</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2480</x><y>520</y><w>210</w><h>160</h></coordinates><panel_attributes>TesselPoint
156--
157-id: Long
158_-ClassAttribute: Long_
159--
160#Operation(i: int): int
161/+AbstractOperation()/
162--
163Responsibilities
164-- Resp1
165*-- Resp2*</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2470</x><y>650</y><w>210</w><h>330</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>190;30;190;250;30;250;30;310</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2470</x><y>840</y><w>570</w><h>140</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>550;30;550;60;30;60;30;120</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2470</x><y>370</y><w>570</w><h>610</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>550;30;550;240;280;240;280;530;30;530;30;590</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2470</x><y>370</y><w>300</w><h>610</h></coordinates><panel_attributes>lt=&lt;&lt;-</panel_attributes><additional_attributes>280;30;280;530;30;530;30;590</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1190</x><y>1100</y><w>510</w><h>320</h></coordinates><panel_attributes>Bond
166--
167HydrogenBond: int
168BondDegree: int
169nr: int
170Cyclic: bool
171Type: enum EdgeType
172Used: enum Shading
173--
174#GetOtherAtom(const ParticleInfo * const Atom) const: atom *
175#MarkUsed(const enum Shading color): bool
176#IsUsed(): enum Shading
177#ResetUsed()
178#Contains(const ParticleInfo * const ptr): bool
179#Contains(const int nr): bool
180#GetDistance() const: double
181#GetDistanceSquared() const: double
182#bond()
183#bond(atom *left, atom *right, const int degree=1, const int number=0)
184#~bond()</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2620</x><y>890</y><w>154</w><h>180</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-
1853</panel_attributes><additional_attributes>60;160;130;160;130;50;30;50;30;70</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1670</x><y>1160</y><w>190</w><h>70</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-
1862</panel_attributes><additional_attributes>30;50;170;50</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1100</x><y>940</y><w>160</w><h>240</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-
1872</panel_attributes><additional_attributes>90;220;40;220;40;50;140;50;140;160</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1590</x><y>1780</y><w>720</w><h>240</h></coordinates><panel_attributes>BondGraph
188--
189max_distance: double
190IsAngstroem: bool
191--
192#BondGraph(bool IsA);
193#~BondGraph();
194#LoadBondLengthTable(const string &amp;filename): bool
195#ConstructBondGraph(molecule * const mol): bool
196#GetBondLength(int firstelement, int secondelement): double
197#SetMaxDistanceToMaxOfCovalentRadii(const molecule * const mol): double
198#BondLengthMatrixMinMaxDistance(BondedParticle * const Walker, BondedParticle * const OtherWalker,
199 double &amp;MinDistance, double &amp;MaxDistance, bool IsAngstroem)
200#CovalentMinMaxDistance(BondedParticle * const Walker, BondedParticle * const OtherWalker,
201 double &amp;MinDistance, double &amp;MaxDistance, bool IsAngstroem)</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2280</x><y>1890</y><w>240</w><h>50</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>30;30;220;30</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2500</x><y>1830</y><w>210</w><h>190</h></coordinates><panel_attributes>MatrixContainer
202--
203-id: Long
204_-ClassAttribute: Long_
205--
206#Operation(i: int): int
207/+AbstractOperation()/
208--
209Responsibilities
210-- Resp1
211*-- Resp2*</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>0</x><y>650</y><w>730</w><h>1500</h></coordinates><panel_attributes>config
212--
213PsiType: int
214MaxPsiDouble: int
215PsiMaxNoUp: int
216PsiMaxNoDown: int
217MaxMinStopStep: int
218InitMaxMinStopStep: int
219ProcPEGamma: int
220ProcPEPsi: int
221configpath: char *
222configname: char *
223FastParsing: bool
224Deltat: double
225basis: string
226databasepath: char *
227DoConstrainedMD: int
228MaxOuterStep: int
229Thermostat: int
230ThermostatImplemented: int *
231ThermostatNames: char **
232TempFrequency: double
233alpha: double
234HooverMass: double
235TargetTemp: double
236ScaleTempStep: int
237mainname: char *
238defaultpath: char *
239pseudopotpath: char *
240DoOutVis: int
241DoOutMes: int
242DoOutNICS: int
243DoOutOrbitals: int
244DoOutCurrent: int
245DoFullCurrent: int
246DoPerturbation: int
247DoWannier: int
248CommonWannier: int
249SawtoothStart: double
250VectorPlane: int
251VectorCut: double
252UseAddGramSch: int
253Seed: int
254OutVisStep: int
255OutSrcStep: int
256MaxPsiStep: int
257EpsWannier: double
258MaxMinStep: int
259RelEpsTotalEnergy: double
260RelEpsKineticEnergy: double
261MaxMinGapStopStep: int
262MaxInitMinStep: int
263InitRelEpsTotalEnergy: double
264InitRelEpsKineticEnergy: double
265InitMaxMinGapStopStep: int
266ECut: double
267MaxLevel: int
268RiemannTensor: int
269LevRFactor: int
270RiemannLevel: int
271Lev0Factor: int
272RTActualUse: int
273AddPsis: int
274RCut: double
275StructOpt: int
276IsAngstroem: int
277RelativeCoord: int
278MaxTypes: int
279--
280#config();
281#~config();
282#TestSyntax(const char * const filename, const periodentafel * const periode) const: int
283#Load(const char * const filename, const string &amp;BondGraphFileName,
284 const periodentafel * const periode, MoleculeListClass * const &amp;MolList);
285#LoadOld(const char * const filename, const string &amp;BondGraphFileName,
286 const periodentafel * const periode, MoleculeListClass * const &amp;MolList);
287#RetrieveConfigPathAndName(const string filename);
288#Save(const char * const filename, const periodentafel * const periode, molecule * const mol) const: bool
289#SaveMPQC(const char * const filename, const molecule * const mol) const: bool
290#SavePDB(const char * const filename, const MoleculeListClass * const MolList) const: bool
291#SavePDB(const char * const filename, const molecule * const mol) const: bool
292#SaveTREMOLO(const char * const filename, const molecule * const mol) const: bool
293#SaveTREMOLO(const char * const filename, const MoleculeListClass * const MolList) const: bool
294#Edit();
295#GetIsAngstroem() const: bool
296#GetDefaultPath() const: char *
297#SetDefaultPath(const char * const path);
298#InitThermostats();
299#ParseThermostats(class ConfigFileBuffer * const fb);</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>700</x><y>1920</y><w>910</w><h>50</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>30;30;890;30</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>2280</x><y>0</y><w>176</w><h>200</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-
3002</panel_attributes><additional_attributes>100;180;150;180;150;50;30;50;30;90</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>3600</x><y>1280</y><w>320</w><h>200</h></coordinates><panel_attributes>&lt;&lt;Singleton&gt;&gt;
301errorLogger
302--
303static ostream *nix;
304static int verbosity;
305static errorLogger* instance;
306--
307#static getInstance(): errorLogger*
308#static purgeInstance()
309#static DoOutput(): bool
310#static setVerbosity(int verbosityLevel);
311#protected errorLogger()
312#protected ~errorLogger()</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2990</x><y>1400</y><w>520</w><h>50</h></coordinates><panel_attributes>KeyCompare
313--
314--
315#operator() (const KeySet SubgraphA, const KeySet SubgraphB) const: bool
316</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1670</x><y>1620</y><w>210</w><h>150</h></coordinates><panel_attributes>UniqueFragments
317--
318ANOVAOrder: int
319FragmentCounter: int
320CurrentIndex: int
321TEFactor: double
322ShortestPathList: int *
323UsedList: bool **
324BondsPerSPCount: int *</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>700</x><y>1670</y><w>990</w><h>50</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>970;30;30;30</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1600</x><y>1280</y><w>360</w><h>440</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>70;420;30;420;30;320;340;320;340;30</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1200</x><y>1490</y><w>350</w><h>40</h></coordinates><panel_attributes>Graph
325{map &lt;KeySet, NumberValuePair, KeyCompare&gt;}
326</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1230</x><y>1500</y><w>460</w><h>220</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>440;200;30;200;30;30</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1350</x><y>1580</y><w>80</w><h>40</h></coordinates><panel_attributes>KeySet
327{set&lt;int&gt;}</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1350</x><y>1590</y><w>340</w><h>130</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>320;110;30;110;30;30</additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1550</x><y>1390</y><w>140</w><h>330</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-
3280...N X 0...N</panel_attributes><additional_attributes>120;310;80;310;80;160;30;160;30;30</additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>2480</x><y>3140</y><w>210</w><h>60</h></coordinates><panel_attributes>LSQ_params
329--
330vectors: const Vector **
331num: int
332</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Class</type><coordinates><x>1490</x><y>260</y><w>210</w><h>50</h></coordinates><panel_attributes>lsq_params
333--
334x: gsl_vector *</panel_attributes><additional_attributes></additional_attributes></element><element><type>com.umlet.element.base.Relation</type><coordinates><x>1670</x><y>260</y><w>170</w><h>50</h></coordinates><panel_attributes>lt=&lt;&lt;&lt;&lt;-</panel_attributes><additional_attributes>30;30;150;30</additional_attributes></element></umlet_diagram>
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