Changes in src/periodentafel.hpp [cc2ee5:6ac7ee]

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;
-  
-  private:
+        //> print element entries to screen
+        bool Output(ofstream *out) const;
+        bool Checkout(ofstream *out, const int No, const int NoOfAtoms) const;
+
+        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
-  
-  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;
-  
-  private:
+        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();
+
+        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;
+
+        private:
 };