Definition at line 14 of file PAHGeometry.h.
 
◆ iterator
      
        
          | typedef std::vector<Atom>::iterator PAHGeometry::iterator | 
        
      
 
 
◆ PAHGeometry() [1/2]
      
        
          | PAHGeometry::PAHGeometry  | 
          ( | 
           | ) | 
           | 
        
      
 
 
◆ PAHGeometry() [2/2]
      
        
          | PAHGeometry::PAHGeometry  | 
          ( | 
          const std::vector< Atom > &  | 
          atoms | ) | 
           | 
        
      
 
 
◆ begin()
  
  
      
        
          | iterator PAHGeometry::begin  | 
          ( | 
           | ) | 
           | 
         
       
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inlinenoexcept   | 
  
 
 
◆ diagonalize()
      
        
          | void PAHGeometry::diagonalize  | 
          ( | 
           | ) | 
           | 
        
      
 
 
◆ end()
  
  
      
        
          | iterator PAHGeometry::end  | 
          ( | 
           | ) | 
           | 
         
       
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inlinenoexcept   | 
  
 
 
◆ getBonds()
      
        
          | std::vector< std::vector< int > > & PAHGeometry::getBonds  | 
          ( | 
           | ) | 
           | 
        
      
 
 
◆ getDimensions()
  
  
      
        
          | std::vector< std::array< double, 3 > > const  & PAHGeometry::getDimensions  | 
          ( | 
           | ) | 
           const | 
         
       
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inline   | 
  
 
 
◆ getMass()
  
  
      
        
          | const double & PAHGeometry::getMass  | 
          ( | 
           | ) | 
           const | 
         
       
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inline   | 
  
 
 
◆ operator[]()
  
  
      
        
          | Atom PAHGeometry::operator[]  | 
          ( | 
          std::size_t  | 
          idx | ) | 
           | 
         
       
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inline   | 
  
 
 
The documentation for this class was generated from the following files:
 
  From FY2025 onward the NASA Ames PAH IR Spectroscopic Database is being
  supported through the Laboratory Astrophysics Round 3 directed Work Package at
  NASA Ames.
  From FY2023-2025 the NASA Ames PAH IR Spectroscopic Database was supported
  through the Laboratory Astrophysics Round 2 directed Work Package at NASA
  Ames.
  From FY2019-2022 the NASA Ames PAH IR Spectroscopic Database was supported
  through a directed Work Package at NASA Ames titled:
  "Laboratory Astrophysics – The NASA Ames PAH IR Spectroscopic
    Database".