Changes in src/periodentafel.hpp [6ac7ee:042f82]

File:

• src/periodentafel.hpp (modified) (2 diffs)

src/periodentafel.hpp

@@ -21 +21 @@
  */
 class element {
-        public:
-                double mass;            //!< mass in g/mol
-                double CovalentRadius;  //!< covalent radius
-                double VanDerWaalsRadius;       //!< can-der-Waals radius
-                int Z;                                  //!< atomic number
-                char name[64];  //!< atom name, i.e. "Hydrogren"
-                char symbol[3]; //!< short form of the atom, i.e. "H"
-                char period[8];         //!< period: n quantum number
-                char group[8];          //!< group: l quantum number
-                char block[8];          //!< block: l quantum number
-                element *previous;      //!< previous item in list
-                element *next;  //!< next element in list
-                int *sort;                      //!< sorc criteria
-                int No;                          //!< number of element set on periodentafel::Output()
-                double Valence;  //!< number of valence electrons for this element
-                int NoValenceOrbitals;  //!< number of valence orbitals, used for determining bond degree in molecule::CreateConnectmatrix()
-                double HBondDistance[NDIM]; //!< distance in Angstrom of this element to hydrogen       (for single, double and triple bonds)
-                double HBondAngle[NDIM];                 //!< typical angle for one, two, three bonded hydrogen (in degrees)
+  public:
+    double mass;    //!< mass in g/mol
+    double CovalentRadius;  //!< covalent radius
+    double VanDerWaalsRadius;  //!< can-der-Waals radius
+    int Z;          //!< atomic number
+    char name[64];  //!< atom name, i.e. "Hydrogren"
+    char symbol[3]; //!< short form of the atom, i.e. "H"
+    char period[8];    //!< period: n quantum number
+    char group[8];    //!< group: l quantum number
+    char block[8];    //!< block: l quantum number
+    element *previous;  //!< previous item in list
+    element *next;  //!< next element in list
+    int *sort;      //!< sorc criteria
+    int No;         //!< number of element set on periodentafel::Output()
+    double Valence;   //!< number of valence electrons for this element
+    int NoValenceOrbitals;  //!< number of valence orbitals, used for determining bond degree in molecule::CreateConnectmatrix()
+    double HBondDistance[NDIM]; //!< distance in Angstrom of this element to hydrogen  (for single, double and triple bonds)
+    double HBondAngle[NDIM];     //!< typical angle for one, two, three bonded hydrogen (in degrees)
 
-        element();
-        ~element();
+  element();
+  ~element();
 
-        //> print element entries to screen
-        bool Output(ofstream *out) const;
-        bool Checkout(ofstream *out, const int No, const int NoOfAtoms) const;
+  //> print element entries to screen
+  bool Output(ofstream *out) const;
+  bool Checkout(ofstream *out, const int No, const int NoOfAtoms) const;
 
-        private:
+  private:
 };
 
@@ -53 +53 @@
  */
 class periodentafel {
-        public:
-                element *start; //!< start of element list
-                element *end;    //!< end of element list
-                char header1[MAXSTRINGSIZE]; //!< store first header line
-                char header2[MAXSTRINGSIZE]; //!< store second header line
+  public:
+    element *start; //!< start of element list
+    element *end;   //!< end of element list
+    char header1[MAXSTRINGSIZE]; //!< store first header line
+    char header2[MAXSTRINGSIZE]; //!< store second header line
 
-        periodentafel();
-        ~periodentafel();
+  periodentafel();
+  ~periodentafel();
 
-        bool AddElement(element *pointer);
-        bool RemoveElement(element *pointer);
-        bool CleanupPeriodtable();
-        element * FindElement(int Z);
-        element * FindElement(char *shorthand) const;
-        element * AskElement();
-        bool Output(ofstream *output) const;
-        bool Checkout(ofstream *output, const int *checkliste) const;
-        bool LoadPeriodentafel(char *path = NULL);
-        bool StorePeriodentafel(char *path = NULL) const;
+  bool AddElement(element *pointer);
+  bool RemoveElement(element *pointer);
+  bool CleanupPeriodtable();
+  element * FindElement(int Z);
+  element * FindElement(const char *shorthand) const;
+  element * AskElement();
+  bool Output(ofstream *output) const;
+  bool Checkout(ofstream *output, const int *checkliste) const;
+  bool LoadPeriodentafel(const char *path);
+  bool StorePeriodentafel(const char *path) const;
 
-        private:
+  private:
 };