Gromacs
2024.3
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Defines 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.
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. | |