Gromacs  2022.2
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Enumerations | Functions
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Description

Enum class defining the different requirements that outputadapters have for the output file type. OutputManager objects can only be built with OutputAdapters whose requirements can be implemented with the available input.

Author
Paul Bauer paul..nosp@m.baue.nosp@m.r.q@g.nosp@m.mail.nosp@m..com

Enumerations

enum  gmx::CoordinateFileFlags : unsigned long {
  gmx::CoordinateFileFlags::Base = 1 << 0, gmx::CoordinateFileFlags::RequireForceOutput = 1 << 1, gmx::CoordinateFileFlags::RequireVelocityOutput = 1 << 2, gmx::CoordinateFileFlags::RequireAtomConnections = 1 << 3,
  gmx::CoordinateFileFlags::RequireAtomInformation = 1 << 4, gmx::CoordinateFileFlags::RequireChangedOutputPrecision = 1 << 5, gmx::CoordinateFileFlags::RequireNewFrameStartTime = 1 << 6, gmx::CoordinateFileFlags::RequireNewFrameTimeStep = 1 << 7,
  gmx::CoordinateFileFlags::RequireNewBox = 1 << 8, gmx::CoordinateFileFlags::RequireCoordinateSelection = 1 << 9, gmx::CoordinateFileFlags::Count
}
 The enums here define the flags specifying the requirements of different outputadapter modules. More...
 
enum  gmx::ChangeSettingType : int { PreservedIfPresent, Always, Never, Count }
 Enum class for setting basic flags in a t_trxframe.
 
enum  gmx::ChangeAtomsType {
  PreservedIfPresent, AlwaysFromStructure, Never, Always,
  Count
}
 Enum class for t_atoms settings.
 
enum  gmx::ChangeFrameInfoType { PreservedIfPresent, Always, Count }
 Enum class for setting fields new or not.
 
enum  gmx::ChangeFrameTimeType {
  PreservedIfPresent, StartTime, TimeStep, Both,
  Count
}
 Enum class for setting frame time from user input.
 

Functions

unsigned long gmx::convertFlag (CoordinateFileFlags flag)
 Conversion of flag to its corresponding unsigned long value.