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0.3.0 AtomicWeight
This commit is contained in:
Rob Tillaart
parent
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commit
a1e696709e
@ -2,7 +2,7 @@
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// FILE: AtomicWeight.cpp
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// AUTHOR: Rob Tillaart
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// DATE: 2022-03-09
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// VERSION: 0.2.2
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// VERSION: 0.3.0
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// PURPOSE: Arduino library for atomic weights
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// URL: https://github.com/RobTillaart/AtomicWeight
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@ -98,6 +98,17 @@ float PTOE::massPercentage(const char * formula, const char * abbrev)
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}
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float PTOE::weightEV(const uint8_t element)
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{
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return weight(element) * DALTON2EV;
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}
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float PTOE::weightEV(const char * formula, const char * abbrev)
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{
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return weight(formula, abbrev) * DALTON2EV;
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}
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////////////////////////////////////////////////////////////////
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//
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@ -115,6 +126,12 @@ float PTOE::grams2moles(const char * formula, float grams)
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}
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float PTOE::dalton2EV(float Dalton)
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{
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return Dalton * DALTON2EV;
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}
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////////////////////////////////////////////////////////////////
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//
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// SPLIT FORMULA IN ELEMENTS
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@ -245,7 +262,7 @@ float PTOE::_weight(const char separator, const char * abbrev)
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float sum = 0;
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float w = 0;
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char elem[3] = { 0, 0, 0 };
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uint32_t count = 0;
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float count = 0;
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while (*p != separator)
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{
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@ -285,6 +302,17 @@ float PTOE::_weight(const char separator, const char * abbrev)
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count = count * 10 + (*p - '0');
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p++;
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}
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if (*p == '.') // floating point numbers
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{
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p++; // skip decimal .
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float divider = 0.1;
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while (isdigit(*p))
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{
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count += (*p - '0') * divider;
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divider *= 0.1;
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p++;
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}
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}
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// correct for no digits
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if (count == 0) count = 1;
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@ -297,11 +325,11 @@ float PTOE::_weight(const char separator, const char * abbrev)
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}
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uint32_t PTOE::_count(const char separator, const char * abbrev)
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float PTOE::_count(const char separator, const char * abbrev)
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{
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uint32_t sum = 0;
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float sum = 0;
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char elem[3] = { 0, 0, 0 };
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uint32_t count = 0;
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float count = 0;
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int w = 0;
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while (*p != separator)
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@ -342,6 +370,17 @@ uint32_t PTOE::_count(const char separator, const char * abbrev)
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count = count * 10 + (*p - '0');
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p++;
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}
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if (*p == '.') // floating point numbers
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{
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p++; // skip decimal .
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float divider = 0.1;
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while (isdigit(*p))
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{
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count += (*p - '0') * divider;
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divider *= 0.1;
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p++;
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}
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}
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// correct for no digits
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if (count == 0) count = 1;
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@ -3,7 +3,7 @@
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// FILE: AtomicWeight.h
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// AUTHOR: Rob Tillaart
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// DATE: 2022-03-09
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// VERSION: 0.2.2
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// VERSION: 0.3.0
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// PURPOSE: Arduino library for atomic weights
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// URL: https://github.com/RobTillaart/AtomicWeight
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@ -11,7 +11,7 @@
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#include "Arduino.h"
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#define ATOMIC_WEIGHT_LIB_VERSION (F("0.2.2"))
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#define ATOMIC_WEIGHT_LIB_VERSION (F("0.3.0"))
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#ifndef ATOMIC_WEIGHT_MAX_SPLIT_LIST
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@ -20,13 +20,12 @@
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// Miscellaneous related constants.
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const float AVOGADRO = 6.02214076e+23; // 1.0 / DALTON.
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const float DALTON = 1.66053907e-24; // weight in grams of one nucleon.
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const float ELEKTRON_VOLT_JOULE = 1.602176565e-19; // eV in Joule
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const float ELEKTRON_VOLT_GRAM = 1.7826619e-39; // eV in grams
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const float DALTON_EV = DALTON / ELEKTRON_VOLT_GRAM;
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const float DALTON_JOULE = DALTON / ELEKTRON_VOLT_JOULE;
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const float AVOGADRO = 6.02214076e+23; // 1.0 / DALTON.
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const float DALTON = 1.66053907e-24; // weight in grams of one nucleon.
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const float PROTON_WEIGHT = 1.6726231e-24; //
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const float NEUTRON_WEIGHT = 1.6749286e-24; //
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const float ELECTRON_WEIGHT = 9.10938356e-28; // weight in grams of one electron.
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const float DALTON2EV = 931494697.25613; //
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/////////////////////////////////////////////////////////////////////////
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@ -41,31 +40,33 @@ public:
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// BASIC
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char * name(const uint8_t element);
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uint8_t find(const char * abbrev);
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char * name(const uint8_t element);
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uint8_t find(const char * abbrev);
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uint8_t electrons(const uint8_t element);
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uint8_t neutrons(const uint8_t element);
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uint8_t protons(const uint8_t element);
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uint8_t electrons(const uint8_t element);
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uint8_t neutrons(const uint8_t element);
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uint8_t protons(const uint8_t element);
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// WEIGHT of one atom
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float weight(const uint8_t element);
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float weight(const uint8_t element);
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// if (element != NULL) weights one element in a formula, e.g element == "H"
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// if (element == NULL) weights the whole formula
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float weight(const char * formula, const char * abbrev = NULL);
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float weight(const char * formula, const char * abbrev = NULL);
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// mass percentage of one element in a formula.
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float massPercentage(const char * formula, const char * abbrev);
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float massPercentage(const char * formula, const char * abbrev);
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// mass in electron volt
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float weightEV(const uint8_t element);
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float weightEV(const char * formula, const char * abbrev = NULL);
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// CONVERSION
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float moles2grams(const char * formula, float moles = 1.0);
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float grams2moles(const char * formula, float grams = 1.0);
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float moles2grams(const char * formula, float moles = 1.0);
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float grams2moles(const char * formula, float grams = 1.0);
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float dalton2EV(float Dalton);
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// SPLIT FORMULA IN ELEMENTS
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uint8_t splitElements(const char * formula);
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uint8_t element(uint8_t element);
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uint8_t splitElements(const char * formula);
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uint8_t element(uint8_t element);
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// COUNT
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@ -73,7 +74,7 @@ public:
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// if (element == NULL) count all atoms in the whole formula
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uint32_t count(const char * formula, const char * element = NULL);
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// atom percentage of one element in a formula.
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float atomPercentage(const char * formula, const char * element);
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float atomPercentage(const char * formula, const char * element);
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// DEBUG
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@ -85,7 +86,7 @@ private:
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// if (element == NULL) ==> whole weight otherwise only of element.
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float _weight(char separator, const char * abbrev);
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uint32_t _count(const char separator, const char * abbrev);
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float _count(const char separator, const char * abbrev);
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char *p; // for _weight() and _count()
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// for splitElements
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@ -6,6 +6,19 @@ The format is based on [Keep a Changelog](http://keepachangelog.com/)
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and this project adheres to [Semantic Versioning](http://semver.org/).
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## [0.3.0] - 2024-08-27
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- support float indices e.g. "(Mg0.4Fe1.6)2.0SiO4" == Olivine
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- update **atomic_weight_formula.ino**
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- add **minerals.h** (short list)
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- add **atomic_weight_minerals.ino**
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- update / clean up constants
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- add **weightEV()**
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- add **weightEV()**
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- add **dalton2EV()**
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- update readme.md
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----
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## [0.2.2] - 2024-04-07
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- update GitHub actions
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- refactor internal names for readability
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@ -11,11 +11,13 @@
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# AtomicWeight
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Arduino library for atomic weights, and related functions.
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Arduino library for atomic weights from the periodic table of elements, and related functions.
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## Description
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**Experimental**
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This library is mainly written to be used for educational purposes.
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Of course are other applications possible.
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Learning the **periodic table of elements**, the abbreviations and weights.
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@ -45,7 +47,7 @@ Another application for the conversion functions is create lookup-tables, see ex
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Note: the library is experimental. More testing is needed. Feedback welcome.
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#### Internal
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### Internal
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The PTOE class uses a table with "scaled" weights to save RAM.
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- it stores weights as **uint16_t**, instead of floats (saves 236 bytes).
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@ -57,13 +59,12 @@ The PTOE class uses a table with "scaled" weights to save RAM.
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- relative error per element is less than 0.09% (~40% better than previous 0.15%).
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- **Breaking:** numbers are **not** compatible with 0.1.x version
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**Version 0.1.x (for reference)**
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- ATOMIC_WEIGHT_FACTOR = 1.0 / 222.909 == weight heaviest element(118) / 65535.
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- relative error per element is less than 0.15%.
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#### Related
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### Related
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List of formulae to play with.
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- https://en.wikipedia.org/wiki/Glossary_of_chemical_formulae
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@ -105,7 +106,7 @@ Note: the find function is case sensitive.
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If the element is out of range **NULL** will be returned.
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#### SplitElements
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### SplitElements
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- **uint8_t splitElements(const char \* formula)** split a formula in an internal list of elements.
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Returns the number of different elements found.
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@ -126,7 +127,7 @@ for (int i = 0; i < nr; i++)
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}
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```
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#### AtomPercentage
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### AtomPercentage
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- **uint32_t count(const char \* formula, const char \* abbreviation = NULL)**
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- If (abbreviation != NULL) returns the total atoms of one element in a formula.
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@ -141,7 +142,7 @@ ap = PTOE.atomPercentage("H2SO4", "O");
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```
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#### Conversion grams moles
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### Conversion grams moles
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- **float moles2grams(const char \* formula, float moles = 1.0)**
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Returns the amount of grams needed for a given amount of moles.
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@ -158,7 +159,7 @@ grams = PTOE.moles2grams("KOH", 2.3);
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```
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#### Weight
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### Weight
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The unit of weight is **Daltons** (Da) or the atomic mass unit (amu), think of it as the number of nucleons.
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A **Dalton** is defined as 1/12th of the weight of an Carbon atom.
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@ -179,13 +180,19 @@ E.g one can weigh the H atoms in H2O (2 of 18).
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aw = PTOE.weight("H2O", "H");
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```
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0.3.0 added conversion of weights to electronVolts.
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#### Formulas
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- **float weightEV(uint8_t element)**
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- **float weightEV(char \* formula, char \* abbrev = NULL)**
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### Formulas
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All element abbreviations are one or two characters long.
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The first char must be upper case, the (optional) second must be lower case.
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(except for element 0, n == neutronium, which is added as placeholder).
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Elements can be followed by a number indicating an amount, no number implies 1.
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Since 0.3.0 these numbers may be floats (as such formulae can be found in minerals).
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Formulas do not care about the order of the atoms.
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So "C6H6" is equal to "H6C6" or even "CCCCCCHHHHHH" or "C3H3C3H3" etc.
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@ -193,52 +200,54 @@ So "C6H6" is equal to "H6C6" or even "CCCCCCHHHHHH" or "C3H3C3H3" etc.
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The formula parsing supports round brackets () to indicate groups in the formula.
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The library does **not** support square brackets to indicate a group.
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The library does **not** support \*6H20 to indicate hydration.
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The library does **not** support e.g. \*6H20 to indicate hydration.
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Valid formula's might look like:
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- "B" = single element, Hydrogen, 1 atom.
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- "Na" = single element, Sodium, 1 atom..
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- "Na" = single element, Sodium, 1 atom.
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- "C6" = single element, multiple times, Benzene.
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- "H2SO4" = compound molecule, no groups (sulphuric acid).
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- "C6(COOH)2" = repeating group, (artificial example).
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- "(H2O)987" = 987 water molecules.
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- "YBa2Cu3O7" = compound molecule, == some superconductor-ish material.
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- "Ba((OH)4(COOH)2)3" - recursive repeating groups (artificial example).
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- "(Mg0.4Fe1.6)2.0SiO4" == Olivine, float indices
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Numbers of an element or a group should be between 1 and 2^32-1 (uint32_t).
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However in practice values are relative small (< 20).
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In theory the numbers of an element or a group should be between 1 and 2^20 (float).
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In practice however, the values used are relative small (< 100 or 1000).
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- zero (0) is mapped upon 1.
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- very large numbers cause overflow when printing the output of some functions.
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Use - https://github.com/RobTillaart/printHelpers if needed.
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#### MassPercentage
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### MassPercentage
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The **massPercentage(formula, abbreviation)** function can determine the percentage of the weight
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a selected element has in a formula, e.g. the weight of the Oxygen in **H2SO4**.
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This is calculated by dividing the weight of the element by the total weight.
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```cpp
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mp = PTOE.massPercentage("H2SO4", "O");
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float mp = PTOE.massPercentage("H2SO4", "O");
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```
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If you want to do that for all elements it might be more efficient to calculate the weight
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of the whole formula once.
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#### Avogadro, Dalton, electronVolt.
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### Avogadro, Dalton, electronVolt.
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The library provides the following (SI) constants:
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- **const float AVOGADRO = 6.02214076e+23** number of particles in one mole.
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- **const float DALTON = 1.66053907e-24** weight of one nucleon in grams.
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- **const float DALTON = 1.66053907e-24** weight of one nucleon in grams (average).
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- relation: DALTON \* AVOGADRO == 1.0
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- **const float ELEKTRON_VOLT_JOULE = 1.602176565e-19** eV in Joule
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- **const float ELEKTRON_VOLT_GRAM = 1.7826619e-39** eV in grams (E=Mc2)
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- **const float DALTON_JOULE = 1.036427015e5** == DALTON / ELEKTRON_VOLT_JOULE.
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- **const float DALTON_EV = 931.4940954e12** == DALTON / ELEKTRON_VOLT_GRAM.
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- **const float PROTON_WEIGHT = 1.6726231e-24** weight in grams of an proton.
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- **const float NEUTRON_WEIGHT = 1.6749286e-24** weight in grams of an neutron.
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- **const float ELECTRON_WEIGHT = 9.10938356e-28** weight in grams of one electron.
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- **const float DALTON2EV = 931494697.25613** e.g. 1 proton = 931 MeV.
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Can be used to convert the atomic mass to electron volt.
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These constants are not directly used in the library however they fit the scope of the library.
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These constants are not all used in the library however they fit the scope of the library.
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There will be functions based upon these constants in the future.
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The **AVOGADRO** constant is the proportionality factor that relates the number of constituent particles
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@ -250,7 +259,7 @@ Use https://github.com/RobTillaart/printHelpers to print numbers in the scientif
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This will prevent printing **OVF** overflow or **0.000**.
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#### Debug
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### Debug
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- **float weightFactor()** returns the weightFactor, that was used to
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minimize the memory used for the elements mass lookup table.
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@ -260,11 +269,8 @@ minimize the memory used for the elements mass lookup table.
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#### Must
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- improve documentation
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- reorganize.
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- float => double
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- EV is at the end of range float...
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- improve and reorganize documentation
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- float => double for precision.
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#### Should
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@ -272,15 +278,12 @@ minimize the memory used for the elements mass lookup table.
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- **uint32_t protons(formula)** worker, formula can be single element.
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- **uint32_t neutrons(formula)** uses protons()
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- **uint32_t electrons(formula)** uses protons()
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- add weight of electron as constant. for completeness.
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- functions around **AVOGADRO**, **DALTON** etc.
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- **float weightEV(formula)**
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- **float dalton2EV(float Dalton)** to express mass in eV.
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- **float dalton2Joule(float Dalton)**
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- handle Fe2+ Fe3+ (ignore number when encountering +)
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#### Could
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- support progmem formulas **weight(F("CaO2"))**?
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- user could use a char buffer to copy.
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- extend unit tests
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- extend formula parser with error codes.
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- which ones?
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@ -292,6 +295,9 @@ minimize the memory used for the elements mass lookup table.
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- ==> more memory...
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- support \[] square brackets too.
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- (NH4)2\[Pt(SCN)6]
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- support spaces for readability?
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- "Ba (OH)4 (COOH)11 SiO4" ==> after last digit
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- special print function for formulae
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- add a derived class PERIODIC_TABLE?
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@ -326,6 +332,7 @@ minimize the memory used for the elements mass lookup table.
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- evaporate point
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- 2 bytes per temp 4 x 118 = 476 bytes
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- compression 3 bytes for 2 temps 2x 12 bits = 0..4095 K = 354 bytes
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- exponential notation floats? (H2O)1e30
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||||
|
||||
## Support
|
||||
|
||||
@ -17,6 +17,8 @@ char formula3[24] = "CuO2";
|
||||
char formula4[24] = "(COH)3(COH)2COH";
|
||||
char formula5[24] = "(CH)6O6";
|
||||
char formula6[24] = "xH2"; // fails => 0;
|
||||
char formula7[24] = "(CuO2)0.25";
|
||||
char formula8[24] = "(Mg0.4Fe1.6)2.0SiO4"; // Olivine mineral
|
||||
|
||||
|
||||
void setup()
|
||||
@ -71,6 +73,14 @@ void setup()
|
||||
Serial.print(" \t");
|
||||
Serial.println(ptoe.weight(formula6));
|
||||
|
||||
Serial.print(formula7);
|
||||
Serial.print(" \t");
|
||||
Serial.println(ptoe.weight(formula7));
|
||||
|
||||
Serial.print(formula8);
|
||||
Serial.print(" \t");
|
||||
Serial.println(ptoe.weight(formula8));
|
||||
|
||||
Serial.print("()");
|
||||
Serial.print(" \t");
|
||||
Serial.println(ptoe.weight("()"));
|
||||
@ -82,6 +92,10 @@ void setup()
|
||||
Serial.print("(H2O)255");
|
||||
Serial.print(" \t");
|
||||
Serial.println(ptoe.weight("(H2O)255"));
|
||||
|
||||
Serial.print("(H2O)255.0");
|
||||
Serial.print(" \t");
|
||||
Serial.println(ptoe.weight("(H2O)255.0"));
|
||||
}
|
||||
|
||||
|
||||
|
||||
@ -0,0 +1,76 @@
|
||||
// FILE: atomic_weight_minerals.ino
|
||||
// AUTHOR: Rob Tillaart
|
||||
// PURPOSE: demo
|
||||
// URL: https://github.com/RobTillaart/AtomicWeight
|
||||
|
||||
|
||||
#include "Arduino.h"
|
||||
#include "AtomicWeight.h"
|
||||
#include "minerals.h"
|
||||
|
||||
|
||||
PTOE ptoe;
|
||||
|
||||
|
||||
void setup()
|
||||
{
|
||||
Serial.begin(115200);
|
||||
while (!Serial);
|
||||
Serial.println(__FILE__);
|
||||
Serial.println();
|
||||
|
||||
Serial.println("NAME\tWEIGHT\tFORMULA\n");
|
||||
|
||||
printMineral("ALBITE", ALBITE);
|
||||
printMineral("ANORTHITE", ANORTHITE);
|
||||
printMineral("MICROLINE", MICROLINE);
|
||||
printMineral("QUARTZ", QUARTZ);
|
||||
printMineral("NEPHELINE", NEPHELINE);
|
||||
printMineral("KALSILITE", KALSILITE);
|
||||
printMineral("LEUCITE", LEUCITE);
|
||||
printMineral("AEGIRINE", AEGIRINE);
|
||||
printMineral("SODALITE", SODALITE);
|
||||
printMineral("ENSTATITE", ENSTATITE);
|
||||
printMineral("FERROSILITE", FERROSILITE);
|
||||
printMineral("PIGEONITE", PIGEONITE);
|
||||
printMineral("DIOPSIDE", DIOPSIDE);
|
||||
printMineral("WOLLASTONITE", WOLLASTONITE);
|
||||
printMineral("TREMOLITE", TREMOLITE);
|
||||
printMineral("MUSCOVITE", MUSCOVITE);
|
||||
printMineral("PHOLOGOPITE", PHOLOGOPITE);
|
||||
printMineral("FORSTERITE", FORSTERITE);
|
||||
printMineral("FAYALITE", FAYALITE);
|
||||
printMineral("ZIRCON", ZIRCON);
|
||||
printMineral("AKERMANITE", AKERMANITE);
|
||||
printMineral("MAGNETITE", MAGNETITE);
|
||||
printMineral("ULVOSPINEL", ULVOSPINEL);
|
||||
printMineral("ILMENITE", ILMENITE);
|
||||
printMineral("SPINEL", SPINEL);
|
||||
printMineral("CHROMITE", CHROMITE);
|
||||
printMineral("HEMATITE", HEMATITE);
|
||||
printMineral("CORUNDUM", CORUNDUM);
|
||||
printMineral("RUTILE", RUTILE);
|
||||
printMineral("URANINITE", URANINITE);
|
||||
printMineral("PYRITE", PYRITE);
|
||||
printMineral("CHALCOPYRITE", CHALCOPYRITE);
|
||||
printMineral("HYDROXYAPATITE", HYDROXYAPATITE);
|
||||
|
||||
Serial.println("\ndone...");
|
||||
}
|
||||
|
||||
|
||||
void loop()
|
||||
{
|
||||
}
|
||||
|
||||
|
||||
void printMineral(char * name, char * formula)
|
||||
{
|
||||
Serial.print(name);
|
||||
Serial.print("\t");
|
||||
Serial.print(ptoe.weight(formula));
|
||||
Serial.print("\t");
|
||||
Serial.println(formula);
|
||||
}
|
||||
|
||||
// -- END OF FILE --
|
||||
@ -15,7 +15,7 @@
|
||||
"type": "git",
|
||||
"url": "https://github.com/RobTillaart/AtomicWeight.git"
|
||||
},
|
||||
"version": "0.2.2",
|
||||
"version": "0.3.0",
|
||||
"license": "MIT",
|
||||
"frameworks": "*",
|
||||
"platforms": "*",
|
||||
|
||||
@ -1,5 +1,5 @@
|
||||
name=AtomicWeight
|
||||
version=0.2.2
|
||||
version=0.3.0
|
||||
author=Rob Tillaart <rob.tillaart@gmail.com>
|
||||
maintainer=Rob Tillaart <rob.tillaart@gmail.com>
|
||||
sentence=Arduino library for atomic weights, calculate massPercentage of elements in a formula.
|
||||
|
||||
95
libraries/AtomicWeight/minerals.h
Normal file
95
libraries/AtomicWeight/minerals.h
Normal file
@ -0,0 +1,95 @@
|
||||
#pragma once
|
||||
//
|
||||
// FILE: minerals.h
|
||||
// AUTHOR: Rob Tillaart
|
||||
// DATE: 2024-08-12
|
||||
// PURPOSE: very short list of chemical formulae of minerals
|
||||
// URL: https://github.com/RobTillaart/AtomicWeight
|
||||
//
|
||||
|
||||
/////////////////////////////////////////////////////////////////////////
|
||||
//
|
||||
// The formulae are based upon Cornelis Klein, Anthony Philpotts book
|
||||
// Earth Materials, introduction to Mineralogy and Petrology, chapter 7
|
||||
// ISBN: 978-1-316-60885-2
|
||||
//
|
||||
// NOT SUPPORTED: ==> formulae commented
|
||||
// NOT SUPPORTED: Fe2+ or Fe3+ (potential, could be ignored!)
|
||||
// NOT SUPPORTED: comma operator (selection, should be made explicit)
|
||||
// NOT SUPPORTED: Fe1-x (less than 1, should be made explicit)
|
||||
//
|
||||
// to be extended,
|
||||
//
|
||||
|
||||
// 7.5
|
||||
#define ALBITE "NaAlSi3O8"
|
||||
#define ANORTHITE "CaAl2Si2O8"
|
||||
// 7.6
|
||||
#define MICROLINE "KAlSi3O8" // Orthoclase
|
||||
// 7.7
|
||||
#define QUARTZ "SiO2"
|
||||
// 7.8
|
||||
#define NEPHELINE "(Na3K)Al4(SiO4)"
|
||||
#define KALSILITE "KAlSiO4"
|
||||
// 7.9
|
||||
#define LEUCITE "KAlSi2O6"
|
||||
#define AEGIRINE "NaFeSi2O6" // 7.14
|
||||
// 7.10
|
||||
#define SODALITE "Na4Al3Si3O12Cl"
|
||||
// 7.11
|
||||
#define ENSTATITE "MgSiO3" // "(Mg1.0Fe0.0)SiO3"
|
||||
#define FERROSILITE "FeSiO3" // "(Mg0.5Fe0.5)SiO3"
|
||||
// 7.12
|
||||
#define PIGEONITE "Ca0.25(MgFe)1.75Si2O6"
|
||||
// 7.13
|
||||
#define DIOPSIDE "CaMgSi2O6"
|
||||
#define WOLLASTONITE "CaSiO3"
|
||||
// 7.15
|
||||
#define TREMOLITE "Ca2Mg5Si8O22(OH)2"
|
||||
// 7.16
|
||||
#define MUSCOVITE "KAl3Si3O10(OH)2"
|
||||
// 7.17
|
||||
#define PHOLOGOPITE "KMg3(AlSi3O10)(OH)2"
|
||||
// 7.18
|
||||
// #define BIOTITE "K(Mg,Fe)3(AlSi3O10)(OH)2"
|
||||
// 7.19
|
||||
// #define OLIVINE "(Mg,Fe)2SiO4"
|
||||
#define FORSTERITE "Mg2SiO4"
|
||||
#define FAYALITE "Fe2SiO4"
|
||||
// 7.20
|
||||
#define ZIRCON "ZrSiO4"
|
||||
// 7.21
|
||||
// #define TOUMALINE "(Na,Ca,K)(Fe,Mg,Al,Mn,Li)3(Al,Fe)6(BO3)3(Si6O18)(OH)3(O,OH,F)"
|
||||
// #define SCHORL "(NaFe3Al6(BO3)3(Si6O18)(OH)3(O,OH,F)4"
|
||||
// 7.22
|
||||
// #define ALLANITE "(Ca,Ce)2(Al,Fe++,Fe+++)3(SiO4)(Si2O7)(OH)"
|
||||
// 7.23
|
||||
// #define MELITITE "(Ca,Na)2(Mg,Al)(Si,Al)2O7"
|
||||
#define AKERMANITE "Ca2MgSi2O7"
|
||||
// 7.24
|
||||
#define MAGNETITE "Fe3O4"
|
||||
#define ULVOSPINEL "Fe2TiO4"
|
||||
#define ILMENITE "FeTiO3" // 7.27
|
||||
#define SPINEL "MgAl2O4"
|
||||
// 7.25
|
||||
#define CHROMITE "FeCr2O4"
|
||||
// 7.26
|
||||
#define HEMATITE "Fe2O3"
|
||||
#define CORUNDUM "Al2O3"
|
||||
// 7.28
|
||||
#define RUTILE "TiO2"
|
||||
// 7.29
|
||||
#define URANINITE "UO2"
|
||||
// 7.30
|
||||
#define PYRITE "FeS2"
|
||||
// 7.31
|
||||
// #define PYRRHOTITE "Fe1-xS" // x = 0..0.2
|
||||
// 7.32
|
||||
#define CHALCOPYRITE "CuFeS2"
|
||||
// 7.33
|
||||
// #define APATITE "Ca5(PO4)3(OH,F,Cl)
|
||||
#define HYDROXYAPATITE "Ca5(PO4)3(OH)"
|
||||
|
||||
|
||||
// -- END OF FILE --
|
||||
|
||||
@ -52,10 +52,10 @@ unittest(test_constants)
|
||||
assertEqualFloat(1.66053907e-24, DALTON, 1e-30);
|
||||
assertEqualFloat(1.0, DALTON * AVOGADRO, 1e-5);
|
||||
|
||||
assertEqualFloat(1.602176565e-19, ELEKTRON_VOLT_JOULE, 1e-5);
|
||||
assertEqualFloat(1.7826619e-39, ELEKTRON_VOLT_GRAM, 1e-5);
|
||||
assertEqualFloat(DALTON / ELEKTRON_VOLT_GRAM, DALTON_EV, 1e-5);
|
||||
assertEqualFloat(DALTON / ELEKTRON_VOLT_JOULE, DALTON_JOULE, 1e-5);
|
||||
assertEqualFloat(1.6726231E-24, PROTON_WEIGHT, 1e-30);
|
||||
assertEqualFloat(1.6749286E-24, NEUTRON_WEIGHT, 1e-30);
|
||||
assertEqualFloat(9.10938356e-28, ELECTRON_WEIGHT, 1e-34);
|
||||
assertEqualFloat(931494697.25613, DALTON2EV, 1e2);
|
||||
}
|
||||
|
||||
|
||||
|
||||
Loading…
Reference in New Issue
Block a user