0.3.2 AtomicWeight

Author: RobTillaart

libraries/AtomicWeight/AtomicWeight.cpp

@@ -2,7 +2,7 @@
 //    FILE: AtomicWeight.cpp
 //  AUTHOR: Rob Tillaart
 //    DATE: 2022-03-09
-// VERSION: 0.3.1
+// VERSION: 0.3.2
 // PURPOSE: Arduino library for atomic weights
 //     URL: https://github.com/RobTillaart/AtomicWeight
 

libraries/AtomicWeight/AtomicWeight.h

@@ -3,15 +3,15 @@
 //    FILE: AtomicWeight.h
 //  AUTHOR: Rob Tillaart
 //    DATE: 2022-03-09
-// VERSION: 0.3.1
+// VERSION: 0.3.2
 // PURPOSE: Arduino library for atomic weights
 //     URL: https://github.com/RobTillaart/AtomicWeight
 
 
 #include "Arduino.h"
 
 
-#define ATOMIC_WEIGHT_LIB_VERSION         (F("0.3.1"))
+#define ATOMIC_WEIGHT_LIB_VERSION         (F("0.3.2"))
 
 
 #ifndef ATOMIC_WEIGHT_MAX_SPLIT_LIST

libraries/AtomicWeight/CHANGELOG.md

@@ -6,6 +6,14 @@ The format is based on [Keep a Changelog](http://keepachangelog.com/)
 and this project adheres to [Semantic Versioning](http://semver.org/).
 
 
+## [0.3.2] - 2025-06-22
+- update minerals.h (add formulas chapter 14)
+- split minerals example in 3 parts
+- update atomic_weight_split.ino (add element nr)
+- update readme.md
+- add example atomic_weight_count_protons.ino
+- minor update examples
+
 ## [0.3.1] - 2025-01-02
 - fix #4, update minerals.h
 - update example

libraries/AtomicWeight/README.md

@@ -126,12 +126,16 @@ See example.
 
 ```cpp
 char formula[24] = "YBa2Cu3O7";
-nr = splitElements(formula);
+Serial.println(formula);
+nr = PTOE.splitElements(formula);
 for (int i = 0; i < nr; i++)
 {
-  Serial.print(PTOE.massPercentage(formula, element(i)), 3);
+  int elem = PTOE.element(i);
+  Serial.print(PTOE.massPercentage(formula, PTOE.name(elem), 3);
   Serial.print("%\t");
-  Serial.print(element(i));
+  Serial.print(elem);
+  Serial.print("%\t");
+  Serial.print(PTOE.name(elem));
   Seriel.println();
 }
 ```
@@ -324,12 +328,14 @@ minimize the memory used for the elements mass lookup table.
   element 0 is defined as n conflict with N
 - support hydrates ?
   - **Ba(BrO3)2·2H2O**  new separator + starts with number.
+    ==> **Ba(BrO3)2(H2O)2** or **Ba(BrO3)2·(H2O)2** or ??
   - other liquids than water?
   - https://en.wikipedia.org/wiki/Glossary_of_chemical_formulae
 - is there a faster data structure?
   - search by nr is O(1)
   - search by name is O(n)
   - only if more RAM is used. => not
+- selection operator (Mg,Fe,Al)? not deterministic
 - parameters element should be less than \_size
   - user responsibility
 - more information?

libraries/AtomicWeight/examples/atomic_count_atomPercentage/atomic_count_atomPercentage.ino

@@ -22,11 +22,13 @@ char formula6[24] = "xH2";           //  fails => 0;
 
 void setup()
 {
-  Serial.begin(115200);
   while (!Serial);
+  Serial.begin(115200);
+  Serial.println();
   Serial.println(__FILE__);
   Serial.print("ATOMIC_WEIGHT_LIB_VERSION: ");
   Serial.println(ATOMIC_WEIGHT_LIB_VERSION);
+  Serial.println();
 
 
   //  COUNT

libraries/AtomicWeight/examples/atomic_count_split/atomic_count_split.ino

@@ -27,11 +27,13 @@ char formula8[24] = "Ca2SbMg4FeBe2Si4O20";  //  Welshite
 
 void setup()
 {
-  Serial.begin(115200);
   while (!Serial);
+  Serial.begin(115200);
+  Serial.println();
   Serial.println(__FILE__);
   Serial.print("ATOMIC_WEIGHT_LIB_VERSION: ");
   Serial.println(ATOMIC_WEIGHT_LIB_VERSION);
+  Serial.println();
 
   test("C");
   test("C6");

libraries/AtomicWeight/examples/atomic_grams_moles/atomic_grams_moles.ino

@@ -16,10 +16,13 @@ char formula[24] = "KOH";
 
 void setup()
 {
-  Serial.begin(115200);
   while (!Serial);
+  Serial.begin(115200);
   Serial.println();
   Serial.println(__FILE__);
+  Serial.print("ATOMIC_WEIGHT_LIB_VERSION: ");
+  Serial.println(ATOMIC_WEIGHT_LIB_VERSION);
+  Serial.println();
 
   Serial.print("\n\t");
   Serial.print(formula);

libraries/AtomicWeight/examples/atomic_weight_count_protons/atomic_weight_count_protons.ino

@@ -0,0 +1,84 @@
+//    FILE: atomic_weight_count_protons.ino
+//  AUTHOR: Rob Tillaart
+// PURPOSE: demo
+//     URL: https://github.com/RobTillaart/AtomicWeight
+//
+
+#include "Arduino.h"
+#include "AtomicWeight.h"
+
+
+PTOE ptoe;
+
+
+void setup()
+{
+  while (!Serial);
+  Serial.begin(115200);
+  Serial.println();
+  Serial.println(__FILE__);
+  Serial.print("ATOMIC_WEIGHT_LIB_VERSION: ");
+  Serial.println(ATOMIC_WEIGHT_LIB_VERSION);
+  Serial.println();
+  Serial.println("Formula\tProt\tNeut");
+  Serial.println();
+
+  count("O");
+  count("O2");
+  count("O3");
+  count("H2O");
+  count("YBa2Cu3O7");
+  count("C6H6O6");
+}
+
+
+void loop()
+{
+}
+
+
+void count(char * formula)
+{
+  Serial.print(formula);
+  Serial.print("\t");
+  Serial.print(protons(formula));
+  Serial.print("\t");
+  Serial.print(neutrons(formula));
+  Serial.print("\n");
+}
+
+uint32_t protons(char * formula)
+{
+  uint32_t prot = 0;
+  int nr = ptoe.splitElements(formula);
+  for (int i = 0; i < nr; i++)
+  {
+    int elem = ptoe.element(i);
+    float weight = ptoe.weight(formula, ptoe.name(elem));
+    prot += weight / ptoe.weight(elem) * ptoe.protons(elem);
+  }
+  return prot;
+}
+
+
+uint32_t neutrons(char * formula)
+{
+  uint32_t neut = 0;
+  int nr = ptoe.splitElements(formula);
+  for (int i = 0; i < nr; i++)
+  {
+    int elem = ptoe.element(i);
+    float weight = ptoe.weight(formula, ptoe.name(elem));
+    neut += weight / ptoe.weight(elem) * ptoe.neutrons(elem);
+  }
+  return neut;
+}
+
+uint32_t electrons(char * formula)
+{
+  return protons(formula);
+}
+
+
+
+//  -- END OF FILE --

libraries/AtomicWeight/examples/atomic_weight_find/atomic_weight_find.ino

@@ -12,9 +12,13 @@ PTOE ptoe;
 
 void setup()
 {
-  Serial.begin(115200);
   while (!Serial);
+  Serial.begin(115200);
+  Serial.println();
   Serial.println(__FILE__);
+  Serial.print("ATOMIC_WEIGHT_LIB_VERSION: ");
+  Serial.println(ATOMIC_WEIGHT_LIB_VERSION);
+  Serial.println();
 
   uint8_t n = ptoe.find("Fe");
   Serial.println(ptoe.protons(n));

libraries/AtomicWeight/examples/atomic_weight_find_performance/atomic_weight_find_performance.ino

@@ -18,9 +18,13 @@ volatile int n;
 
 void setup()
 {
-  Serial.begin(115200);
   while (!Serial);
+  Serial.begin(115200);
+  Serial.println();
   Serial.println(__FILE__);
+  Serial.print("ATOMIC_WEIGHT_LIB_VERSION: ");
+  Serial.println(ATOMIC_WEIGHT_LIB_VERSION);
+  Serial.println();
 
   delay(10);
   start = micros();