0.2.1 AtomicWeight

libraries/AtomicWeight/AtomicWeight.cpp

@@ -2,7 +2,7 @@
 //    FILE: AtomicWeight.cpp
 //  AUTHOR: Rob Tillaart
 //    DATE: 2022-03-09
-// VERSION: 0.2.0
+// VERSION: 0.2.1
 // PURPOSE: Arduino library for atomic weights
 //     URL: https://github.com/RobTillaart/AtomicWeight
 
@@ -13,8 +13,8 @@
 
 PTOE::PTOE(const uint8_t size)
 {
-_size  = size;
+  _size  = size;
-_found = 0;
+  _found = 0;
 }
 
 
@@ -24,50 +24,50 @@ _found = 0;
 //
 uint8_t PTOE::size()
 {
-return _size;
+  return _size;
 }
 
 
 char * PTOE::name(const uint8_t el)
 {
-//  catch out of range.
+  //  catch out of range.
-if (el > _size) return NULL;
+  if (el > _size) return NULL;
-return elements[el].name;
+  return elements[el].name;
 }
 
 
 uint8_t PTOE::find(const char * abbrev)
 {
-//  case insensitive?
+  //  case insensitive?
-//  caching?
+  //  caching?
-//  param check?
+  //  param check?
-//  uint8_t len = strlen(abbrev);
+  //  uint8_t len = strlen(abbrev);
-//  if ((len == 1) || (len == 2))
+  //  if ((len == 1) || (len == 2))
-//  {
+  //  {
-for (uint8_t i = 0; i < _size; i++)
+  for (uint8_t i = 0; i < _size; i++)
-{
+  {
-if (strcmp(elements[i].name, abbrev) == 0) return i;
+    if (strcmp(elements[i].name, abbrev) == 0) return i;
-}
+  }
-// }
+  // }
-return 255;
+  return 255;
 }
 
 
 uint8_t PTOE::electrons(const uint8_t el)
 {
-return el;
+  return el;
 }
 
 
 uint8_t PTOE::neutrons(const uint8_t el)
 {
-return round(weight(el)) - el;
+  return round(weight(el)) - el;
 }
 
 
 uint8_t PTOE::protons(const uint8_t el)
 {
-return el;
+  return el;
 }
 
 
@@ -77,24 +77,24 @@ return el;
 //
 float PTOE::weight(const uint8_t el)
 {
-if (el > _size) return 0;  //  catch out of range.
+  if (el > _size) return 0;  //  catch out of range.
-return elements[el].weight * ATOMIC_WEIGHT_FACTOR;
+  return elements[el].weight * ATOMIC_WEIGHT_FACTOR;
 }
 
 
 float PTOE::weight(const char * formula, const char * abbrev)
 {
-p = (char *)formula;
+  p = (char *)formula;
-return _weight('\0', abbrev);
+  return _weight('\0', abbrev);
 }
 
 
 float PTOE::massPercentage(const char * formula, const char * abbrev)
 {
-float total = weight(formula);
+  float total = weight(formula);
-if (total == 0) return 0;
+  if (total == 0) return 0;
-p = (char *)formula;
+  p = (char *)formula;
-return 100.0 * _weight('\0', abbrev) / total;
+  return 100.0 * _weight('\0', abbrev) / total;
 }
 
 
@@ -105,13 +105,13 @@ return 100.0 * _weight('\0', abbrev) / total;
 //
 float PTOE::moles2grams(const char * formula, float moles)
 {
-return moles * weight(formula);
+  return moles * weight(formula);
 }
 
 
 float PTOE::grams2moles(const char * formula, float grams)
 {
-return grams / weight(formula);
+  return grams / weight(formula);
 }
 
 
@@ -121,82 +121,82 @@ return grams / weight(formula);
 //
 uint8_t PTOE::splitElements(const char * formula)
 {
-uint8_t count = 0;
+  uint8_t count = 0;
-char elem[3] = { 0, 0, 0 };
+  char elem[3] = { 0, 0, 0 };
 
-char * p = (char *) formula;
+  char * p = (char *) formula;
-while (*p != '\0')
+  while (*p != '\0')
-{
+  {
-//  SKIP non element info
+    //  SKIP non element info
-if (*p == '(')
+    if (*p == '(')
-{
+    {
-p++;   //  skip '('
+      p++;   //  skip '('
-continue;
+      continue;
-}
+    }
-if (*p == ')')
+    if (*p == ')')
-{
+    {
-p++;   //  skip ')'
+      p++;   //  skip ')'
-continue;
+      continue;
-}
+    }
-if (isdigit(*p))
+    if (isdigit(*p))
-{
+    {
-p++;   //  skip digit
+      p++;   //  skip digit
-continue;
+      continue;
-}
+    }
 
-//  GET ELEMENT := [ Upper | Upper,lower ]
+    //  GET ELEMENT := [ Upper | Upper,lower ]
-elem[0] = 0;
+    elem[0] = 0;
-elem[1] = 0;
+    elem[1] = 0;
-if (! isupper(*p)) return 0;  //  fail
+    if (! isupper(*p)) return 0;  //  fail
-elem[0] = *p;
+    elem[0] = *p;
-p++;
+    p++;
-if (islower(*p))
+    if (islower(*p))
-{
+    {
-elem[1] = *p;
+      elem[1] = *p;
-p++;
+      p++;
-}
+    }
-//  FIND INDEX OF ELEMENT
+    //  FIND INDEX OF ELEMENT
-int z = find(elem);
+    int z = find(elem);
-if (z == 255)
+    if (z == 255)
-{
+    {
-return 0;  //  fail
+      return 0;  //  fail
-}
+    }
 
-//  DO WE HAVE IDENTIFIED IT ALREADY?
+    //  DO WE HAVE IDENTIFIED IT ALREADY?
-bool found = false;
+    bool found = false;
-for (int i = 0; i < count; i++)
+    for (int i = 0; i < count; i++)
-{
+    {
-if (_splitList[i] == z)
+      if (_splitList[i] == z)
-{
+      {
-found = true;
+        found = true;
-}
+      }
-}
+    }
-if ((found == false) && (count < ATOMIC_WEIGHT_MAX_SPLIT_LIST))
+    if ((found == false) && (count < ATOMIC_WEIGHT_MAX_SPLIT_LIST))
-{
+    {
-_splitList[count] = z;
+      _splitList[count] = z;
-count++;
+      count++;
-}
+    }
-}
+  }
 
-// //  DEBUG
+  // //  DEBUG
-// for (int i = 0; i < count; i++)
+  // for (int i = 0; i < count; i++)
-// {
+  // {
-// Serial.print(i);
+  // Serial.print(i);
-// Serial.print('\t');
+  // Serial.print('\t');
-// Serial.print(_splitList[i]);
+  // Serial.print(_splitList[i]);
-// Serial.print('\t');
+  // Serial.print('\t');
-// Serial.println(name(_splitList[i]));
+  // Serial.println(name(_splitList[i]));
-// }
+  // }
 
-_found = count;
+  _found = count;
-return count;
+  return count;
 }
 
 
 uint8_t PTOE::element(uint8_t el)
 {
-if (el >= _found) return 255;
+  if (el >= _found) return 255;
-return _splitList[el];
+  return _splitList[el];
 }
 
 
@@ -206,17 +206,17 @@ return _splitList[el];
 //
 uint32_t PTOE::count(const char * formula, const char * el)
 {
-p = (char *)formula;
+  p = (char *)formula;
-return _count('\0', el);
+  return _count('\0', el);
 }
 
 
 float PTOE::atomPercentage(const char * formula, const char * el)
 {
-float total = count(formula);
+  float total = count(formula);
-if (total == 0) return 0;
+  if (total == 0) return 0;
-p = (char *)formula;
+  p = (char *)formula;
-return 100.0 * _count('\0', el) / total;
+  return 100.0 * _count('\0', el) / total;
 }
 
 
@@ -226,7 +226,7 @@ return 100.0 * _count('\0', el) / total;
 //
 float PTOE::weightFactor()
 {
-return ATOMIC_WEIGHT_FACTOR;
+  return ATOMIC_WEIGHT_FACTOR;
 }
 
 
@@ -236,117 +236,116 @@ return ATOMIC_WEIGHT_FACTOR;
 //
 float PTOE::_weight(const char sep, const char * abbrev)
 {
-float sum = 0;
+  float sum = 0;
-float w   = 0;
+  float w   = 0;
-char elem[3] = { 0, 0, 0 };
+  char elem[3] = { 0, 0, 0 };
-uint32_t count = 0;
+  uint32_t count = 0;
 
-while (*p != sep)
+  while (*p != sep)
-{
+  {
-w = 0;
+    w = 0;
-//  HANDLE GROUP  (...)
+    //  HANDLE GROUP  (...)
-if (*p == '(')
+    if (*p == '(')
-{
+    {
-p++;   //  skip '('
+      p++;   //  skip '('
-w = _weight(')', abbrev);
+      w = _weight(')', abbrev);
-p++;   //  skip ')'
+      p++;   //  skip ')'
-}
+    }
-else
+    else
-{
+    {
-//  GET ELEMENT := [ Upper | Upper,lower ]
+      //  GET ELEMENT := [ Upper | Upper,lower ]
-elem[1] = 0;
+      elem[1] = 0;
-if (! isupper(*p)) return 0;  //  fail
+      if (! isupper(*p)) return 0;  //  fail
-elem[0] = *p;
+      elem[0] = *p;
-p++;
+      p++;
-if (islower(*p))
+      if (islower(*p))
-{
+      {
-elem[1] = *p;
+        elem[1] = *p;
-p++;
+        p++;
-}
+      }
-//  can be optimized?
+      //  can be optimized?
-if ((abbrev == NULL) || (strcmp(elem, abbrev) == 0))
+      if ((abbrev == NULL) || (strcmp(elem, abbrev) == 0))
-{
+      {
-int z = find(elem);
+        int z = find(elem);
-if (z == 255) return 0;  //  fail
+        if (z == 255) return 0;  //  fail
-w = weight(z);
+        w = weight(z);
-}
+      }
-}
+    }
 
-count = 0;
+    count = 0;
-//  get optional digits
+    //  get optional digits
-while (isdigit(*p))
+    while (isdigit(*p))
-{
+    {
-count = count * 10 + (*p - '0');
+      count = count * 10 + (*p - '0');
-p++;
+      p++;
-}
+    }
-//  correct for no digits
+    //  correct for no digits
-if (count == 0) count = 1;
+    if (count == 0) count = 1;
 
-//  DEBUG
+    //  DEBUG
-// Serial.println(w);
+    // Serial.println(w);
-// Serial.println(count);
+    // Serial.println(count);
-
+    sum += (w * count);
-sum += (w * count);
+  }
-}
+  return sum;
-return sum;
 }
 
 
 uint32_t PTOE::_count(const char sep, const char * abbrev)
 {
-uint32_t sum = 0;
+  uint32_t sum = 0;
-char elem[3] = { 0, 0, 0 };
+  char elem[3] = { 0, 0, 0 };
-uint32_t count = 0;
+  uint32_t count = 0;
-int w = 0;
+  int w = 0;
 
-while (*p != sep)
+  while (*p != sep)
-{
+  {
-//  HANDLE GROUP  (...)
+    //  HANDLE GROUP  (...)
-if (*p == '(')
+    if (*p == '(')
-{
+    {
-p++;   //  skip '('
+      p++;   //  skip '('
-w = _count(')', abbrev);
+      w = _count(')', abbrev);
-p++;   //  skip ')'
+      p++;   //  skip ')'
-}
+    }
-else
+    else
-{
+    {
-w = 0;
+      w = 0;
-//  GET ELEMENT := [ Upper | Upper,lower ]
+      //  GET ELEMENT := [ Upper | Upper,lower ]
-elem[1] = 0;
+      elem[1] = 0;
-if (! isupper(*p)) return 0;  //  fail
+      if (! isupper(*p)) return 0;  //  fail
-elem[0] = *p;
+      elem[0] = *p;
-p++;
+      p++;
-if (islower(*p))
+      if (islower(*p))
-{
+      {
-elem[1] = *p;
+        elem[1] = *p;
-p++;
+        p++;
-}
+      }
-//  can be optimized
+      //  can be optimized
-if ((abbrev == NULL) || (strcmp(elem, abbrev) == 0))
+      if ((abbrev == NULL) || (strcmp(elem, abbrev) == 0))
-{
+      {
-int z = find(elem);
+        int z = find(elem);
-if (z == 255) return 0;  //  fail
+        if (z == 255) return 0;  //  fail
-w = 1;
+        w = 1;
-}
+      }
-}
+    }
 
-count = 0;
+    count = 0;
-//  get optional digits
+    //  get optional digits
-while (isdigit(*p))
+    while (isdigit(*p))
-{
+    {
-count = count * 10 + (*p - '0');
+      count = count * 10 + (*p - '0');
-p++;
+      p++;
-}
+    }
-//  correct for no digits
+    //  correct for no digits
-if (count == 0) count = 1;
+    if (count == 0) count = 1;
 
-//  DEBUG
+    //  DEBUG
-// Serial.println(w);
+    // Serial.println(w);
-// Serial.println(count);
+    // Serial.println(count);
 
-sum += w * count;
+    sum += w * count;
-}
+  }
-return sum;
+  return sum;
 }
 
 

libraries/AtomicWeight/AtomicWeight.h

@@ -3,7 +3,7 @@
 //    FILE: AtomicWeight.h
 //  AUTHOR: Rob Tillaart
 //    DATE: 2022-03-09
-// VERSION: 0.2.0
+// VERSION: 0.2.1
 // PURPOSE: Arduino library for atomic weights
 //     URL: https://github.com/RobTillaart/AtomicWeight
 
@@ -11,7 +11,7 @@
 #include "Arduino.h"
 
 
-#define ATOMIC_WEIGHT_LIB_VERSION         (F("0.2.0"))
+#define ATOMIC_WEIGHT_LIB_VERSION         (F("0.2.1"))
 
 
 #ifndef ATOMIC_WEIGHT_MAX_SPLIT_LIST

libraries/AtomicWeight/CHANGELOG.md

@@ -6,6 +6,10 @@ The format is based on [Keep a Changelog](http://keepachangelog.com/)
 and this project adheres to [Semantic Versioning](http://semver.org/).
 
 
+## [0.2.1] - 2023-10-17
+- update readme.md
+
+
 ## [0.2.0] - 2023-04-15
 - use new weight factor 201.3868 to reduce maximum relative error
 - create **elements_uint16.h** file.
@@ -23,6 +27,7 @@ and this project adheres to [Semantic Versioning](http://semver.org/).
 - update readme.md
 - update keywords.txt.
 
+----
 
 ## [0.1.5] - 2023-04-13
 - add **moles2grams(formula, moles)**

libraries/AtomicWeight/README.md

@@ -2,8 +2,11 @@
 [![Arduino CI](https://github.com/RobTillaart/AtomicWeight/workflows/Arduino%20CI/badge.svg)](https://github.com/marketplace/actions/arduino_ci)
 [![Arduino-lint](https://github.com/RobTillaart/AtomicWeight/actions/workflows/arduino-lint.yml/badge.svg)](https://github.com/RobTillaart/AtomicWeight/actions/workflows/arduino-lint.yml)
 [![JSON check](https://github.com/RobTillaart/AtomicWeight/actions/workflows/jsoncheck.yml/badge.svg)](https://github.com/RobTillaart/AtomicWeight/actions/workflows/jsoncheck.yml)
+[![GitHub issues](https://img.shields.io/github/issues/RobTillaart/AtomicWeight.svg)](https://github.com/RobTillaart/AtomicWeight/issues)
+
 [![License: MIT](https://img.shields.io/badge/license-MIT-green.svg)](https://github.com/RobTillaart/AtomicWeight/blob/master/LICENSE)
 [![GitHub release](https://img.shields.io/github/release/RobTillaart/AtomicWeight.svg?maxAge=3600)](https://github.com/RobTillaart/AtomicWeight/releases)
+[![PlatformIO Registry](https://badges.registry.platformio.org/packages/robtillaart/library/AtomicWeight.svg)](https://registry.platformio.org/libraries/robtillaart/AtomicWeight)
 
 
 # AtomicWeight
@@ -291,6 +294,7 @@ minimize the memory used for the elements mass lookup table.
   - ==> more memory...
 - support \[] square brackets too.
   - (NH4)2\[Pt(SCN)6]
+- add a derived class PERIODIC_TABLE?
 
 
 #### Wont (unless)
@@ -314,8 +318,18 @@ minimize the memory used for the elements mass lookup table.
   - K L M etc?
   - valence
 - temperatures,
-  - melt
+  - melting point
-  - evaporate
+  - evaporate point
   - 2 bytes per temp 4 x 118 = 476 bytes
   - compression 3 bytes for 2 temps 2x 12 bits = 0..4095 K = 354 bytes
 
+
+## Support
+
+If you appreciate my libraries, you can support the development and maintenance.
+Improve the quality of the libraries by providing issues and Pull Requests, or
+donate through PayPal or GitHub sponsors.
+
+Thank you,
+
+

libraries/AtomicWeight/library.json

@@ -15,9 +15,9 @@
     "type": "git",
     "url": "https://github.com/RobTillaart/AtomicWeight.git"
   },
-  "version": "0.2.0",
+  "version": "0.2.1",
   "license": "MIT",
-  "frameworks": "arduino",
+  "frameworks": "*",
   "platforms": "*",
   "headers": "AtomicWeight.h"
 }

libraries/AtomicWeight/library.properties

@@ -1,5 +1,5 @@
 name=AtomicWeight
-version=0.2.0
+version=0.2.1
 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.