RelaxBase::WidgetData Struct Reference

List of all members.

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Detailed Description

A struct representing the data from all widgets.

Definition at line 163 of file relaxbase.h.

Public Attributes
unsigned int	type
	ComboBoxType GBMA/BMAT.
bool	autoGenerate
	CheckBoxAutogen none.
bool	autoRegen
	CheckBoxRegen none.
unsigned int	autoGenFreq
	SpinBoxGenFreq none.
bool	autoHBonds
	CheckBoxHBonds none.
bool	useOneScaleFactor
	RadioButtonSFAC{1|2} none.
QString	sfacValue1
	LineEditSFAC1 none.
QString	sfacValue2
	LineEditSFAC2 none.
unsigned int	sfacNumSteps
	SpinBoxSFAC none.
QStringList	listValues
	ListViewSFAC none.
vector< unsigned int >	listNumSteps
	ListViewSFAC none.
unsigned int	numDIIS
	SpinBoxMAXD MAXD.
bool	printShifts
	CheckBoxSUMM SUMM.
unsigned int	numSteps
	SpinBoxSteps none.
vector< ICData >	ic
	ListViewIC K/FIXC/MAXI/TORO.
bool	checkSymmetry
	CheckBoxSYMM SYMM.
bool	checkSymmX
	CheckBoxSYMMx SYMM.
bool	checkSymmY
	CheckBoxSYMMy SYMM.
bool	checkSymmZ
	CheckBoxSYMMz SYMM.
bool	checkSymmXY
	CheckBoxSYMMxy SYMM.
bool	checkSymmXZ
	CheckBoxSYMMxz SYMM.
bool	checkSymmYZ
	CheckBoxSYMMyz SYMM.
bool	checkSymmXYZ
	CheckBoxSYMMxyz SYMM.
unsigned int	fixAtom
	SpinBoxFIXA FIXA.
bool	fixX
	CheckBoxFIXA1 FIXA.
bool	fixY
	CheckBoxFIXA2 FIXA.
bool	fixZ
	CheckBoxFIXA3 FIXA.
vector< unsigned int >	listFixedAtoms
	ListViewFIXA FIXA.
QStringList	listFixedXYZ
	ListViewFIXA FIXA.
bool	optExternal
	CheckBoxTROT TROT.
unsigned int	optExternalAngle
	ComboBoxTROT TROT.
QString	optExternalA
	LineEditXTFK1 XTFK.
QString	optExternalB
	LineEditXTFK2 XTFK.
QString	optExternalC
	LineEditXTFK3 XTFK.
QString	optExternalAlpha
	LineEditXTFK4 XTFK.
QString	optExternalBeta
	LineEditXTFK5 XTFK.
QString	optExternalGamma
	LineEditXTFK6 XTFK.
bool	mirrorImage
	CheckBoxSIGN SIGN.
bool	writeXYZ
	CheckBoxANIM ANIM.
QString	refineThre1
	LineEditREFT1 REFT.
QString	refineThre2
	LineEditREFT2 REFT.
QString	refineThre3
	LineEditREFT3 REFT.
QString	refineThre4
	LineEditREFT4 REFT.
QString	refineThre5
	LineEditREFT5 REFT.
unsigned int	maxIter
	SpinBoxITER ITER.
QString	iterThre1
	LineEditTHRE1 THRE.
QString	iterThre2
	LineEditTHRE2 THRE.
QString	iterThre3
	LineEditTHRE3 THRE.
QString	iterThre4
	LineEditTHRE4 THRE.
unsigned int	xbonAtom1
	SpinBoxXBON1 XBON.
unsigned int	xbonAtom2
	SpinBoxXBON2 XBON.
vector< unsigned int >	listXbonAtoms1
	ListViewXBON XBON.
vector< unsigned int >	listXbonAtoms2
	ListViewXBON XBON.
unsigned int	massType
	RadioButtonMASS{1|2|3} MASS/AVMA.
bool	setLowFreqs
	CheckBoxFRET FRET.
QString	lowFreqs
	LineEditFRET FRET.
bool	orden
	CheckBoxORDA ORDA.
bool	goon
	CheckBoxGOON GOON.
bool	printDebug
	CheckBoxLONG LONG.
bool	update
	CheckBoxUPDT UPDT.
unsigned int	updateType
	ComboBoxUPDT UPDT.
QString	updateScaleFactor
	LineEditUPDT UPDT.
bool	compact
	CheckBoxSHRT SHRT.
QString	compactBonds
	LineEditSHRT1 SHRT.
QString	compactAngles
	LineEditSHRT2 SHRT.
QString	compactTorsions
	LineEditSHRT3 SHRT.
unsigned int	numLines
	Table.
vector< unsigned int >	hPos
	Table.
vector< unsigned int >	vPos
	Table.
QStringList	contents
	Table.

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Member Data Documentation

unsigned int RelaxBase::WidgetData::type

ComboBoxType GBMA/BMAT. Definition at line 167 of file relaxbase.h.

bool RelaxBase::WidgetData::autoGenerate

CheckBoxAutogen none. Definition at line 168 of file relaxbase.h.

bool RelaxBase::WidgetData::autoRegen

CheckBoxRegen none. Definition at line 169 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::autoGenFreq

SpinBoxGenFreq none. Definition at line 170 of file relaxbase.h.

bool RelaxBase::WidgetData::autoHBonds

CheckBoxHBonds none. Definition at line 171 of file relaxbase.h.

bool RelaxBase::WidgetData::useOneScaleFactor

RadioButtonSFAC{1|2} none. Definition at line 172 of file relaxbase.h.

QString RelaxBase::WidgetData::sfacValue1

LineEditSFAC1 none. Definition at line 173 of file relaxbase.h.

QString RelaxBase::WidgetData::sfacValue2

LineEditSFAC2 none. Definition at line 174 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::sfacNumSteps

SpinBoxSFAC none. Definition at line 175 of file relaxbase.h.

QStringList RelaxBase::WidgetData::listValues

ListViewSFAC none. Definition at line 176 of file relaxbase.h.

vector<unsigned int> RelaxBase::WidgetData::listNumSteps

ListViewSFAC none. Definition at line 177 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::numDIIS

SpinBoxMAXD MAXD. Definition at line 178 of file relaxbase.h.

bool RelaxBase::WidgetData::printShifts

CheckBoxSUMM SUMM. Definition at line 179 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::numSteps

SpinBoxSteps none. Definition at line 181 of file relaxbase.h.

vector<ICData> RelaxBase::WidgetData::ic

ListViewIC K/FIXC/MAXI/TORO. Definition at line 184 of file relaxbase.h.

bool RelaxBase::WidgetData::checkSymmetry

CheckBoxSYMM SYMM. Definition at line 187 of file relaxbase.h.

bool RelaxBase::WidgetData::checkSymmX

CheckBoxSYMMx SYMM. Definition at line 188 of file relaxbase.h.

bool RelaxBase::WidgetData::checkSymmY

CheckBoxSYMMy SYMM. Definition at line 189 of file relaxbase.h.

bool RelaxBase::WidgetData::checkSymmZ

CheckBoxSYMMz SYMM. Definition at line 190 of file relaxbase.h.

bool RelaxBase::WidgetData::checkSymmXY

CheckBoxSYMMxy SYMM. Definition at line 191 of file relaxbase.h.

bool RelaxBase::WidgetData::checkSymmXZ

CheckBoxSYMMxz SYMM. Definition at line 192 of file relaxbase.h.

bool RelaxBase::WidgetData::checkSymmYZ

CheckBoxSYMMyz SYMM. Definition at line 193 of file relaxbase.h.

bool RelaxBase::WidgetData::checkSymmXYZ

CheckBoxSYMMxyz SYMM. Definition at line 194 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::fixAtom

SpinBoxFIXA FIXA. Definition at line 197 of file relaxbase.h.

bool RelaxBase::WidgetData::fixX

CheckBoxFIXA1 FIXA. Definition at line 198 of file relaxbase.h.

bool RelaxBase::WidgetData::fixY

CheckBoxFIXA2 FIXA. Definition at line 199 of file relaxbase.h.

bool RelaxBase::WidgetData::fixZ

CheckBoxFIXA3 FIXA. Definition at line 200 of file relaxbase.h.

vector<unsigned int> RelaxBase::WidgetData::listFixedAtoms

ListViewFIXA FIXA. Definition at line 201 of file relaxbase.h.

QStringList RelaxBase::WidgetData::listFixedXYZ

ListViewFIXA FIXA. Definition at line 202 of file relaxbase.h.

bool RelaxBase::WidgetData::optExternal

CheckBoxTROT TROT. Definition at line 203 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::optExternalAngle

ComboBoxTROT TROT. Definition at line 204 of file relaxbase.h.

QString RelaxBase::WidgetData::optExternalA

LineEditXTFK1 XTFK. Definition at line 205 of file relaxbase.h.

QString RelaxBase::WidgetData::optExternalB

LineEditXTFK2 XTFK. Definition at line 206 of file relaxbase.h.

QString RelaxBase::WidgetData::optExternalC

LineEditXTFK3 XTFK. Definition at line 207 of file relaxbase.h.

QString RelaxBase::WidgetData::optExternalAlpha

LineEditXTFK4 XTFK. Definition at line 208 of file relaxbase.h.

QString RelaxBase::WidgetData::optExternalBeta

LineEditXTFK5 XTFK. Definition at line 209 of file relaxbase.h.

QString RelaxBase::WidgetData::optExternalGamma

LineEditXTFK6 XTFK. Definition at line 210 of file relaxbase.h.

bool RelaxBase::WidgetData::mirrorImage

CheckBoxSIGN SIGN. Definition at line 211 of file relaxbase.h.

bool RelaxBase::WidgetData::writeXYZ

CheckBoxANIM ANIM. Definition at line 212 of file relaxbase.h.

QString RelaxBase::WidgetData::refineThre1

LineEditREFT1 REFT. Definition at line 215 of file relaxbase.h.

QString RelaxBase::WidgetData::refineThre2

LineEditREFT2 REFT. Definition at line 216 of file relaxbase.h.

QString RelaxBase::WidgetData::refineThre3

LineEditREFT3 REFT. Definition at line 217 of file relaxbase.h.

QString RelaxBase::WidgetData::refineThre4

LineEditREFT4 REFT. Definition at line 218 of file relaxbase.h.

QString RelaxBase::WidgetData::refineThre5

LineEditREFT5 REFT. Definition at line 219 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::maxIter

SpinBoxITER ITER. Definition at line 220 of file relaxbase.h.

QString RelaxBase::WidgetData::iterThre1

LineEditTHRE1 THRE. Definition at line 221 of file relaxbase.h.

QString RelaxBase::WidgetData::iterThre2

LineEditTHRE2 THRE. Definition at line 222 of file relaxbase.h.

QString RelaxBase::WidgetData::iterThre3

LineEditTHRE3 THRE. Definition at line 223 of file relaxbase.h.

QString RelaxBase::WidgetData::iterThre4

LineEditTHRE4 THRE. Definition at line 224 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::xbonAtom1

SpinBoxXBON1 XBON. Definition at line 227 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::xbonAtom2

SpinBoxXBON2 XBON. Definition at line 228 of file relaxbase.h.

vector<unsigned int> RelaxBase::WidgetData::listXbonAtoms1

ListViewXBON XBON. Definition at line 229 of file relaxbase.h.

vector<unsigned int> RelaxBase::WidgetData::listXbonAtoms2

ListViewXBON XBON. Definition at line 230 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::massType

RadioButtonMASS{1|2|3} MASS/AVMA. Definition at line 231 of file relaxbase.h.

bool RelaxBase::WidgetData::setLowFreqs

CheckBoxFRET FRET. Definition at line 232 of file relaxbase.h.

QString RelaxBase::WidgetData::lowFreqs

LineEditFRET FRET. Definition at line 233 of file relaxbase.h.

bool RelaxBase::WidgetData::orden

CheckBoxORDA ORDA. Definition at line 234 of file relaxbase.h.

bool RelaxBase::WidgetData::goon

CheckBoxGOON GOON. Definition at line 237 of file relaxbase.h.

bool RelaxBase::WidgetData::printDebug

CheckBoxLONG LONG. Definition at line 238 of file relaxbase.h.

bool RelaxBase::WidgetData::update

CheckBoxUPDT UPDT. Definition at line 239 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::updateType

ComboBoxUPDT UPDT. Definition at line 240 of file relaxbase.h.

QString RelaxBase::WidgetData::updateScaleFactor

LineEditUPDT UPDT. Definition at line 241 of file relaxbase.h.

bool RelaxBase::WidgetData::compact

CheckBoxSHRT SHRT. Definition at line 242 of file relaxbase.h.

QString RelaxBase::WidgetData::compactBonds

LineEditSHRT1 SHRT. Definition at line 243 of file relaxbase.h.

QString RelaxBase::WidgetData::compactAngles

LineEditSHRT2 SHRT. Definition at line 244 of file relaxbase.h.

QString RelaxBase::WidgetData::compactTorsions

LineEditSHRT3 SHRT. Definition at line 245 of file relaxbase.h.

unsigned int RelaxBase::WidgetData::numLines

Table. Definition at line 248 of file relaxbase.h.

vector<unsigned int> RelaxBase::WidgetData::hPos

Table. Definition at line 249 of file relaxbase.h.

vector<unsigned int> RelaxBase::WidgetData::vPos

Table. Definition at line 250 of file relaxbase.h.

QStringList RelaxBase::WidgetData::contents

Table. Definition at line 251 of file relaxbase.h.

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