From: Carsten Niehaus Date: Mon, 24 Oct 2005 11:38:01 +0000 (+0000) Subject: * Remoing old crap from class Isotope X-Git-Tag: v3.80.2~260 X-Git-Url: https://git.rmz.fi/?a=commitdiff_plain;h=33642fea026e42194f20589e450f6ab33a478e81;p=libqmvoc.git * Remoing old crap from class Isotope * Adding some stuff to ChemicalDataObject in preparation for the new Isotope-stuff * Adding the isotope data in data/isotopes.xml. Taken from BlueObelisk * Removing all references of spectra and isotopes in class Element svn path=/trunk/KDE/kdeedu/libkdeedu/; revision=473663 --- diff --git a/libscience/chemicaldataobject.cpp b/libscience/chemicaldataobject.cpp index a440336..347d1c9 100644 --- a/libscience/chemicaldataobject.cpp +++ b/libscience/chemicaldataobject.cpp @@ -25,13 +25,15 @@ class ChemicalDataObjectPrivate { public: QVariant m_value; + QVariant m_errorValue; ChemicalDataObject::BlueObelisk m_type; ChemicalDataObject::BlueObeliskUnit m_unit; }; -ChemicalDataObject::ChemicalDataObject( const QVariant& v, BlueObelisk type ) : d(new ChemicalDataObjectPrivate()) +ChemicalDataObject::ChemicalDataObject( const QVariant& v, BlueObelisk type, const QVariant& errorValue ) : d(new ChemicalDataObjectPrivate()) { d->m_value = v; + d->m_errorValue = errorValue; d->m_type = type; d->m_unit = ChemicalDataObject::noUnit; }; @@ -39,6 +41,7 @@ ChemicalDataObject::ChemicalDataObject( const QVariant& v, BlueObelisk type ) : ChemicalDataObject::ChemicalDataObject() : d(new ChemicalDataObjectPrivate()) { d->m_value = QVariant(); + d->m_errorValue = QVariant(); d->m_unit = ChemicalDataObject::noUnit; } @@ -98,6 +101,11 @@ QVariant ChemicalDataObject::value() const return d->m_value; } +QVariant ChemicalDataObject::errorValue() const +{ + return d->m_errorValue; +} + void ChemicalDataObject::setUnit( ChemicalDataObject::BlueObeliskUnit unit ) { d->m_unit = unit; @@ -113,6 +121,11 @@ void ChemicalDataObject::setData( const QVariant& v ) d->m_value = v; } +void ChemicalDataObject::setErrorValue( const QVariant& v ) +{ + d->m_errorValue = v; +} + void ChemicalDataObject::setType( BlueObelisk type ) { d->m_type = type; @@ -181,6 +194,9 @@ QString ChemicalDataObject::dictRef() const case period: botype = "period"; break; + case relativeAbundance: + botype = "relativeAbundance"; + break; } botype = botype.prepend( "bo:" ); diff --git a/libscience/chemicaldataobject.h b/libscience/chemicaldataobject.h index 2e95b80..ec8af37 100644 --- a/libscience/chemicaldataobject.h +++ b/libscience/chemicaldataobject.h @@ -61,7 +61,8 @@ class ChemicalDataObject orbit/**< the quantumorbit of the element */, period/**< the period of the element */, date/**< date of discovery of the element. When 0, the element has been known in ancient times. */, - discoverer/** The name of the discoverer(s) */ + discoverer/** The name of the discoverer(s) */, + relativeAbundance/** The abundance, relative to 100 */ }; /** @@ -88,13 +89,21 @@ class ChemicalDataObject * @param type the type of the data */ ChemicalDataObject( const QVariant& v, - BlueObelisk type); + BlueObelisk type, + const QVariant& errorValue = 0); /** * Set the data of this object to @p v * @param v the value of the object */ void setData( const QVariant& v ); + + /** + * Set the error value of this object to @p v. + * The error has to have the same unit as the value. + * @param v the value of the object + */ + void setErrorValue( const QVariant& v ); /** * Destructor. @@ -123,6 +132,11 @@ class ChemicalDataObject */ QVariant value() const; + /** + * @return the error margin of the object + */ + QVariant errorValue() const; + /** * @return the type of dataset of this object */ diff --git a/libscience/data/isotopes.xml b/libscience/data/isotopes.xml new file mode 100644 index 0000000..9517882 --- /dev/null +++ b/libscience/data/isotopes.xml @@ -0,0 +1,13238 @@ + + + + + + + + + + + + + + + + + + + + + + + A.H. Wapstra, G. Audi, and C. Thibault. + The AME2003 atomic mass evaluation (I). 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+ 283.17645 + 113 + + + 284.17808 + 113 + + + 285.17873 + 113 + + + 286.18048 + 113 + + + 287.18105 + 113 + + + + + 285.1837 + 114 + + + 286.18386 + 114 + + + 287.1856 + 114 + + + 288.18569 + 114 + + + 289.18728 + 114 + + + + + 287.19119 + 115 + + + 288.19249 + 115 + + + 289.19272 + 115 + + + 290.19414 + 115 + + + 291.19438 + 115 + + + diff --git a/libscience/element.cpp b/libscience/element.cpp index 9614552..d67bde2 100644 --- a/libscience/element.cpp +++ b/libscience/element.cpp @@ -63,54 +63,6 @@ QString Element::dataAsString(ChemicalDataObject::BlueObelisk type) const return ""; } -Isotope* Element::isotopeByNucleons( int numberOfNucleons ) const -{ - QList::ConstIterator it = m_isotopeList.begin(); - const QList::ConstIterator itEnd = m_isotopeList.end(); - - for ( ; it != itEnd; ++it ) - { - if ( ( ( *it )->neutrons() + ( *it )->protones() ) == numberOfNucleons ) - return *it; - } - return 0; -} - -QList Element::isotopes() const -{ - return m_isotopeList; -} - -QList Element::spectrumList() const -{ - return m_spectrumList; -} - -void Element::setIsotopeList( const QList &list ) -{ - m_isotopeList = list; -} - -void Element::setSpectrum( Spectrum *spec ) -{ - m_spectrum = spec; -} - -bool Element::hasSpectrum() const -{ - return m_hasSpectrum; -} - -void Element::setHasSepctrum(bool value) -{ - m_hasSpectrum = value; -} - -Spectrum* Element::spectrum() const -{ - return m_spectrum; -} - Element::~Element() { } diff --git a/libscience/element.h b/libscience/element.h index 43d2d62..3cbcf97 100644 --- a/libscience/element.h +++ b/libscience/element.h @@ -44,12 +44,6 @@ class Element{ Element(); virtual ~Element(); - - /** - * @returns a pointer to the istope with @p numberOfNucleons - * nucleons - */ - Isotope* isotopeByNucleons( int numberOfNucleons ) const; enum RADIUSTYPE { @@ -59,34 +53,6 @@ class Element{ COVALENT }; - QList isotopes() const; - - QList spectrumList() const; - - void setIsotopeList( const QList &list ); - - /** - * sets the Spectrum of the Element - * @param spec the Spectrum of the Element - */ - void setSpectrum( Spectrum *spec ); - - /** - * @return if the element has information about spectra - */ - bool hasSpectrum() const; - - /** - * define if the element has a known Spectrum - * @param value if true, the Element has a Spectrum - */ - void setHasSepctrum(bool value); - - /** - * @return the Spectrum of the element - */ - Spectrum* spectrum() const; - /** * adjusts the units for the data. The user can * for example define if Fahrenheit, Kelvin or @@ -175,21 +141,6 @@ class Element{ * this QList stores all information about an element */ QList dataList; - - /** - * the integer num represents the number of the element - */ - int m_ElementNumber; - - Spectrum *m_spectrum; - - bool m_hasSpectrum; - - QList m_isotopeList; - - QList m_spectrumList; - - QList m_ionenergies; }; #endif diff --git a/libscience/isotope.cpp b/libscience/isotope.cpp index d02977b..40f5bab 100644 --- a/libscience/isotope.cpp +++ b/libscience/isotope.cpp @@ -18,58 +18,22 @@ * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. * ***************************************************************************/ #include "isotope.h" +#include "chemicaldataobject.h" #include #include -Isotope::Isotope( int neutrons, int protones, double percentage, double weight, double halflife, const QString &format, double alphadecay, double betaplusdecay, double betaminusdecay, double ecdecay, double alphapercentage, double betapluspercentage, double betaminuspercentage, double ecpercentage, const QString &spin, const QString &magmoment) -{ - m_neutrons = neutrons; - m_protones = protones; - m_percentage = percentage; - m_halflife = halflife; - m_format = format; - m_weight = weight; - m_alphadecay = alphadecay; - m_betaplusdecay = betaplusdecay; - m_betaminusdecay = betaminusdecay; - m_ecdecay = ecdecay; - - m_spin = spin; - m_magmoment = magmoment; - - m_alphapercentage = alphapercentage; - m_betapluspercentage = betapluspercentage; - m_betaminuspercentage = betaminuspercentage; - m_ecpercentage = ecpercentage; +Isotope::Isotope() + : m_mass( 0 ), m_identifier( 0 ) +{ } -QString Isotope::halflifeAsString() const +Isotope::Isotope( ChemicalDataObject* mass, + ChemicalDataObject* ID ) { - QString halflife; + m_mass = mass; + m_identifier = ID; +} - if ( !seconds() )//years - { - if ( m_halflife > 1000000 ) - halflife = i18n("%1 million years").arg( m_halflife/1000000.0 ); - if ( m_halflife > 1000000000 ) - halflife = i18n("%1 billion years").arg( m_halflife/1000000000.0 ); - else - halflife = i18n("%1 years").arg( m_halflife ); - } - else - { - if ( m_halflife < 120 ) - halflife = i18n("%1 seconds").arg( m_halflife ); - else if ( m_halflife > 1000 ) - halflife = i18n("%1 minutes").arg( m_halflife/60.0 ); - else if ( m_halflife > 3600 ) - halflife = i18n("%1 hours").arg( m_halflife/( 60*60 ) ); - if ( m_halflife > 86400 ) //one day - halflife = i18n("%1 days").arg( m_halflife/( 60*60*24 ) ); - if ( m_halflife > ( 31536000 * 2 ) ) //two year - halflife = i18n("%1 years").arg( m_halflife/( 3600.0*365 )); - } +Isotope::~Isotope(){} - return halflife; -} diff --git a/libscience/isotope.h b/libscience/isotope.h index 9bd832b..3213ed1 100644 --- a/libscience/isotope.h +++ b/libscience/isotope.h @@ -20,225 +20,30 @@ * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. * ***************************************************************************/ -#include +class ChemicalDataObject; + +#include /** * @author Carsten Niehaus - * @author Jörg Buchwald * * This class represents an Isotope with all its properties */ class Isotope { public: - Isotope( int neutrons, - int protones, - double percentage, - double weight, - double halflife, - const QString &format, - double alphadecay, - double betaplusdecay, - double betaminusdecay, - double ecdecay, - double alphapercentage, - double betapluspercentage, - double betaminuspercentage, - double ecpercentage, - const QString &spin, - const QString &magmoment); - - bool seconds() const{ - if ( m_format == "seconds" ) - return true; - else - return false; - } - - /** - * @return the halflife period of the isotope it if has one. The format - * is defined by seconds() - */ - double halflife() const{ - return m_halflife; - } - - double percentage() const{ - return m_percentage; - } - - /** - * @return the number of neutrons the isotope has - */ - int neutrons() const{ - return m_neutrons; - } - - /** - * @return the number of protones the isotope has - */ - int protones() const{ - return m_protones; - } - - /** - * @return the number of nucleons of ths isotope - */ - int nucleons() const{ - return m_protones+m_neutrons; - } - - /** - * the weight of the isotope - */ - double weight() const{ - return m_weight; - } - - /** - * @return the energy of isotope's alpha decay - */ - double alphadecay() const{ - return m_alphadecay; - } - - /** - * @return the energy of isotope's beta plus decay - */ - double betaplusdecay() const{ - return m_betaplusdecay; - } - - /** - * @return the energy of isotope's beta-minus decay - */ - double betaminusdecay() const{ - return m_betaminusdecay; - } - - /** - * @return the energy of isotope's EC- decay - */ - double ecdecay() const{ - return m_ecdecay; - } - - QString spin() const{ - return m_spin; - } - - QString magmoment() const{ - return m_magmoment; - } - - /** - * @return the halflife as a QString. The format will be - * appended, for example "seconds" or "years" depending - * on the timeframe - */ - QString halflifeAsString() const; - - /** - * @return the percentage of the betaminus decay - */ - double betaminuspercentage() const{ - return m_betaminuspercentage; - } - - /** - * @return the percentage of the betaplus decay - */ - double betapluspercentage() const{ - return m_betapluspercentage; - } - - /** - * @return the percentage of the alpha decay - */ - double alphapercentage() const{ - return m_alphapercentage; - } - - /** - * @return the percentage of the EC decay - */ - double ecpercentage() const{ - return m_ecpercentage; - } + Isotope(); + Isotope(ChemicalDataObject* mass, ChemicalDataObject* ID); + virtual ~Isotope(); private: /** - * it is either "years" or "seconds". Usually we use seconds. But some - * isotopes have half-lifes of billion of years. This simply - * doesn't fit into a unsigned int or double - */ - QString m_format; - - /** - * the weight of the isotope - */ - double m_weight; - - /** - * the half-life of an isotope, usually in seconds - * @see m_format - */ - double m_halflife; - - /** - * If 95.2% of the isotopes are of this type, this - * variable will have the value 95.2 - */ - double m_percentage; - - /** - * the number of neutrons + * the symbol of the element the isotope belongs to */ - int m_neutrons; - - /** - * the number of protones - */ - int m_protones; - - ///Specify if the decay is the energy - double m_alphadecay; - ///Specify if the decay is the energy - double m_betaplusdecay; - ///Specify if the decay is the energy - double m_betaminusdecay; - ///Specify if the decay is the energy - double m_ecdecay; - + QString m_parentElementSymbol; - /** - *spin and parity - */ - QString m_spin; - - /** - * magnetic moment - */ - QString m_magmoment; - - /** - * the percentage with which the istope decays as alpha-rays - */ - double m_alphapercentage; - - /** - * the percentage with which the istope decays as beta-plus - */ - double m_betapluspercentage; - - /** - * the percentage with which the istope decays as beta-minus - */ - double m_betaminuspercentage; - /** - * the percentage with which the istope decays as EC - */ - double m_ecpercentage; + ChemicalDataObject* m_mass; + ChemicalDataObject* m_identifier; }; #endif // ISOTOPE_H