UI.viewComponents module

Module with widgets for view/edit component properties in database

• View_Component: Dialog to view/edit compounds of database

• DIPPR_widget: DIPPR equation composite widget

• Parametric_widget: Parametric equation composite widget

API reference

class UI.viewComponents.DIPPR_widget(title, unit, index=0, prop='', coef=None, parent=None)

Bases: QGroupBox

Composite widget to edit/view a DIPPR coefficients

Attributes:

value

Return the DIPPR equation parameters in the format:

Methods

changeId(index)	Common action to do when the component index change, change from user to system compound, editable to readOnly compound
clear()	Clear widget contents
fill(coef)	Populate the widgets with the DIPPR coefficient in format [eq, A, B, C, D, E, Tmin, Tmax]
fit()	Fit experimental data to a DIPPR equation
formula_DIPPR(eq, args)	Calculate the formula of DIPPR equation in a latex format
plot([r])	Plot the current DIPPR correlation equation r correlation coefficient, optional parameter for reuse the code in the fit data procedure
setReadOnly(boolean)	Set widget readOnly state

valueChanged

valueChanged

pyqtSignal(*types, name: str = …, revision: int = …, arguments: Sequence = …) -> PYQT_SIGNAL

types is normally a sequence of individual types. Each type is either a type object or a string that is the name of a C++ type. Alternatively each type could itself be a sequence of types each describing a different overloaded signal. name is the optional C++ name of the signal. If it is not specified then the name of the class attribute that is bound to the signal is used. revision is the optional revision of the signal that is exported to QML. If it is not specified then 0 is used. arguments is the optional sequence of the names of the signal’s arguments.

dict_proptex = {'Hv': 'H_v', 'Pv': 'P_v', 'cpG': 'Cp_g', 'cpL': 'Cp_l', 'cpS': 'Cp_s', 'kG': '\\lambda_v', 'kL': '\\lambda_l', 'muG': '\\mu_g', 'muL': '\\mu_l', 'rhoL': '\\rho_l', 'rhoS': '\\rho_s', 'sigma': '\\sigma'}

latex = {1: 'A + BT + CT^2 + DT^3 + ET^4', 2: 'e^{A + BT + C\\ln(T) + DT^E}', 3: '\\frac{AT^B}{1+\\frac{C}{T}+\\frac{D}{T^2}}', 4: 'A+B e^{-\\frac{C}{T^D}}', 5: 'A + BT + CT^3 + DT^8 + ET^9', 6: '\\frac{A}{B^{1+(1-T/C)^D}}', 7: 'A(1-T_r)^{B+CT_r+dT_r^2+ET_r^3}', 8: 'A+B\\frac{C/T}{\\sinh(C/T)}+D\\frac{E/T}{\\cosh(E/T)}', 9: 'A^2/Tr+B-2ACTr-ADTr^2-C^2Tr^3/3-CDTr^4/2-D^2Tr^5/5'}

__init__(title, unit, index=0, prop='', coef=None, parent=None)

Constructor of widget

Parameters:

titlestring

Title so show of qgroupbox

unitstring

Aditional string with unit representation

indexinteger

Index of compound in database to show

propstring

Latex representation of property to show in matplotlib

coeflist

List of DIPPR equation representation in format [eq, A, B, C, D, E, Tmin, Tmax]

changeId(index)

Common action to do when the component index change, change from user to system compound, editable to readOnly compound

fill(coef)

Populate the widgets with the DIPPR coefficient in format [eq, A, B, C, D, E, Tmin, Tmax]

setReadOnly(boolean)

Set widget readOnly state

property value

Return the DIPPR equation parameters in the format: [eq, A, B, C, D, E, Tmin, Tmax]

clear()

Clear widget contents

formula_DIPPR(eq, args)

Calculate the formula of DIPPR equation in a latex format

Parameters:

eqinteger

Index of DIPPR equation

argslist

Coefficient of DIPPR equation

plot(r=None)

Plot the current DIPPR correlation equation r correlation coefficient, optional parameter for reuse the code in the fit data procedure

fit()

Fit experimental data to a DIPPR equation

class UI.viewComponents.Parametric_widget(title, unit, index=0, prop='', coef=None, parent=None)

Bases: QGroupBox

Composite widget to edit/view a Parametric equation

Attributes:

advancedValue

Return list with advances values for Antoine vapour pressure if

value

Return list with coeff of array

Methods

changeId(index)	Common action to do when the component index change, change from user to system compound, editable to readOnly compound
clear()	Clear widget contents
fill(coef)	Populate the widgets with the parametric coefficient
fit()	Fit experimental data to a parametric equation
formula_Parametric(eq[, args])	Calculate the formula of a parametric equation in a latex format
function(prop)	Define functions of widget
plot([r])	Plot the current parametric correlation equation r correlation coefficient, optional parameter for reuse the code in the fit data procedure
setReadOnly(boolean)	Set widget readOnly state

valueChanged

valueChanged

pyqtSignal(*types, name: str = …, revision: int = …, arguments: Sequence = …) -> PYQT_SIGNAL

types is normally a sequence of individual types. Each type is either a type object or a string that is the name of a C++ type. Alternatively each type could itself be a sequence of types each describing a different overloaded signal. name is the optional C++ name of the signal. If it is not specified then the name of the class attribute that is bound to the signal is used. revision is the optional revision of the signal that is exported to QML. If it is not specified then 0 is used. arguments is the optional sequence of the names of the signal’s arguments.

dict_latex = {'antoine': '$P_v=e^{A-\\frac{B}{C+T}}$', 'henry': '$\\ln H = \\frac{A}{T}+B\\ln T+CT+D$', 'tension': '$\\sigma=A(1-T_r)^B$', 'viscosity': '$\\mu=e^{A\\left(\\frac{1}{T}-\\frac{1}{B}\\right)}$', 'wagner': '$P_v=\\frac{P_c}{Tr}e^{a\\tau+b\\tau^{1.5}+c\\tau^3+d\\tau^6}$'}

dict_prop = {'antoine': 'P_v', 'henry': 'K_H', 'tension': '\\sigma', 'viscosity': '\\mu_g', 'wagner': 'P_v'}

dict_count = {'antoine': 3, 'henry': 4, 'tension': 2, 'viscosity': 2, 'wagner': 4}

__init__(title, unit, index=0, prop='', coef=None, parent=None)

Constructor of widget

Parameters:

titlestring

Title so show of qgroupbox

unitstring

Aditional string with unit representation

indexinteger

Index of compound in database to show

propstring

code name of property to show

coeflist

List of DIPPR equation representation in format [eq, A, B, C, D, E, Tmin, Tmax]

changeId(index)

Common action to do when the component index change, change from user to system compound, editable to readOnly compound

fill(coef)

Populate the widgets with the parametric coefficient

setReadOnly(boolean)

Set widget readOnly state

property value

Return list with coeff of array

property advancedValue

Return list with advances values for Antoine vapour pressure if available

clear()

Clear widget contents

formula_Parametric(eq, args=None)

Calculate the formula of a parametric equation in a latex format

Parameters:

eqstring

Name of property to calculate

argslist

Coefficient of parametric equation

function(prop)

Define functions of widget

plot(r=None)

Plot the current parametric correlation equation r correlation coefficient, optional parameter for reuse the code in the fit data procedure

fit()

Fit experimental data to a parametric equation

class UI.viewComponents.SelectPropertyDialog(parent=None)

Bases: QDialog

Dialog to select propertis to plot

__init__(parent=None)

class UI.viewComponents.PlotPropertiesDialog(cmp, prop, parent=None)

Bases: PlotDialog

Dialog with plot for temperature dependence properties of pure compounds

f = {'H_Henry': <function Henry>, 'Mu_Parametric': <function MuL_Parametric>, 'Pv_Antoine': <function Pv_Antoine>, 'Pv_Wagner': <function Pv_Wagner>, 'Tension_Parametric': <function Tension_Parametric>}

data = {'DIPPR_CpG': '_dipprCpG', 'DIPPR_CpL': '_dipprCpL', 'DIPPR_Hv': '_dipprHv', 'DIPPR_KG': '_dipprKG', 'DIPPR_KL': '_dipprKL', 'DIPPR_MuG': '_dipprMuG', 'DIPPR_MuL': '_dipprMuL', 'DIPPR_Pv': '_dipprPv', 'DIPPR_RhoL': '_dipprRhoL', 'DIPPR_Tension': '_dipprSigma', 'DIPPR_cpS': '_dipprCpS', 'DIPPR_rhoS': '_dipprRhoS', 'H_Henry': 'henry', 'Mu_Parametric': '_parametricMu', 'Pv_Antoine': 'antoine', 'Pv_Wagner': 'wagner', 'Tension_Parametric': '_parametricSigma'}

unitDIPPR = {'DIPPR_CpG': 'cpG', 'DIPPR_CpL': 'cpL', 'DIPPR_Hv': 'Hv', 'DIPPR_KG': 'kG', 'DIPPR_KL': 'kL', 'DIPPR_MuG': 'muG', 'DIPPR_MuL': 'muL', 'DIPPR_Pv': 'Pv', 'DIPPR_RhoL': 'rhoL', 'DIPPR_Tension': 'sigma', 'DIPPR_cpS': 'cpS', 'DIPPR_rhoS': 'rhoS'}

__init__(cmp, prop, parent=None)

class UI.viewComponents.View_Component(index=0, parent=None)

Bases: QDialog

Dialog to view the properties of compounds in pychemqt database in user friendly format. This dialog can be used too to edit a user component, or define a new component

Attributes:

index

Methods

buttonClicked(boton)	Buttonbox functions management
change(index)	Actions to be done when change index of compound
clear()	Clear childer widget
fill(index)	Populate widget with compound properties
getComponent()	Get compound data
help(page)	Open help page in documentation
setDirty()	Set dirty state
setReadOnly(boolean)	Set readOnly for all child widgets

cmp = <lib.compuestos.Componente object>

index = None

__init__(index=0, parent=None)

index of compound in database

• 0 is the option for define a new component, all the widget can be editable

• 1 < 10000: Compound in pychemqt databse, read only element. The user can copy the compound and edit it

• > 10000: Compound added by user

change(index)

Actions to be done when change index of compound

setDirty()

Set dirty state

clear()

Clear childer widget

fill(index)

Populate widget with compound properties

getComponent()

Get compound data

buttonClicked(boton)

Buttonbox functions management

setReadOnly(boolean)

Set readOnly for all child widgets

help(page)

Open help page in documentation