mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-11-03 20:54:07 +01:00
Added documentation
This commit is contained in:
parent
5f5267e34d
commit
dd3e86498d
@ -10,3 +10,5 @@ edition = "2021"
|
||||
[build-dependencies]
|
||||
bindgen = "0.65.1"
|
||||
|
||||
[lib]
|
||||
doctest = false
|
||||
|
@ -91,6 +91,7 @@ impl File {""" ]
|
||||
for group in data:
|
||||
group_l = group.lower()
|
||||
r += [ """
|
||||
/// Checks if the group `{group}` exists in the file.
|
||||
pub fn has_{group_l}(&self) -> Result<bool, ExitCode> {
|
||||
let rc = unsafe { c::trexio_has_{group}(self.ptr) };
|
||||
match rc {
|
||||
@ -107,6 +108,7 @@ pub fn has_{group_l}(&self) -> Result<bool, ExitCode> {
|
||||
type_r = convert_r[data[group][element][0]]
|
||||
element_l = element.lower()
|
||||
r += [ """
|
||||
/// Checks if the element `{element}` of the group `{group}` exists in the file.
|
||||
pub fn has_{group_l}_{element_l}(&self) -> Result<bool, ExitCode> {
|
||||
let rc = unsafe { c::trexio_has_{group}_{element}(self.ptr) };
|
||||
match rc {
|
||||
@ -125,6 +127,7 @@ pub fn has_{group_l}_{element_l}(&self) -> Result<bool, ExitCode> {
|
||||
if data[group][element][1] == []:
|
||||
if data[group][element][0] in [ "int", "float", "dim", "index" ]:
|
||||
r += [ """
|
||||
/// Reads the scalar element `{element}` contained in the group `{group}`.
|
||||
pub fn read_{group_l}_{element_l}(&self) -> Result<{type_r}, ExitCode> {
|
||||
let mut data_c: {type_c} = 0{type_c};
|
||||
let (rc, data) = unsafe {
|
||||
@ -134,6 +137,7 @@ pub fn read_{group_l}_{element_l}(&self) -> Result<{type_r}, ExitCode> {
|
||||
rc_return(data, rc)
|
||||
}
|
||||
|
||||
/// Writes the scalar element `{element}` contained in the group `{group}`.
|
||||
pub fn write_{group_l}_{element_l}(&self, data: {type_r}) -> Result<(), ExitCode> {
|
||||
let data: {type_c} = data.try_into().expect("try_into failed in write_{group_l}_{element_l}");
|
||||
let rc = unsafe { c::trexio_write_{group}_{element}_64(self.ptr, data) };
|
||||
@ -149,6 +153,7 @@ pub fn write_{group_l}_{element_l}(&self, data: {type_r}) -> Result<(), ExitCode
|
||||
|
||||
elif data[group][element][0] in [ "str" ]:
|
||||
r += [ """
|
||||
/// Reads the string `{element}` contained in the group `{group}`.
|
||||
pub fn read_{group_l}_{element_l}(&self, capacity: usize) -> Result<String, ExitCode> {
|
||||
let data_c = CString::new(vec![ b' ' ; capacity]).expect("CString::new failed");
|
||||
let (rc, data) = unsafe {
|
||||
@ -161,6 +166,7 @@ pub fn read_{group_l}_{element_l}(&self, capacity: usize) -> Result<String, Exit
|
||||
}
|
||||
|
||||
|
||||
/// Writes the string `{element}` contained in the group `{group}`.
|
||||
pub fn write_{group_l}_{element_l}(&self, data: &str) -> Result<(), ExitCode> {
|
||||
let size : i32 = data.len().try_into().expect("try_into failed in write_{group_l}_{element_l}");
|
||||
let data = string_to_c(data);
|
||||
@ -179,6 +185,7 @@ pub fn write_{group_l}_{element_l}(&self, data: &str) -> Result<(), ExitCode> {
|
||||
|
||||
elif data[group][element][0] in [ "dim readonly" ]:
|
||||
r += [ """
|
||||
/// Reads the dimensioning variable `{element}` contained in group `{group}`.
|
||||
pub fn read_{group_l}_{element_l}(&self) -> Result<{type_r}, ExitCode> {
|
||||
let mut data_c: {type_c} = 0{type_c};
|
||||
let (rc, data) = unsafe {
|
||||
@ -199,7 +206,32 @@ pub fn read_{group_l}_{element_l}(&self) -> Result<{type_r}, ExitCode> {
|
||||
else:
|
||||
|
||||
if data[group][element][0] in [ "int", "float", "dim", "index" ]:
|
||||
t = [ """pub fn read_{group_l}_{element_l}(&self) -> Result<Vec<{type_r}>, ExitCode> {
|
||||
t = [ f"""
|
||||
/// Reads the array `{element}` contained in the group `{group}`.
|
||||
///
|
||||
/// Dimensions are `{data[group][element][1]}`.
|
||||
/// """ ]
|
||||
if len(data[group][element][1]) > 1:
|
||||
t += [ f"""/// The array is returned as a flattened one-dimensional vector.
|
||||
/// To put it back as a multidimensional array, you can use the [`chunks`] method:
|
||||
///
|
||||
/// # Example
|
||||
/// ```
|
||||
/// let one_d_array = trexio_file.read_{group_l}_{element_l}()?;""" ]
|
||||
try:
|
||||
dim_group, dim_element = data[group][element][1][0].split('.')
|
||||
t += [ f"/// let {dim_group}_{dim_element} = trexio_file.read_{dim_group}_{dim_element}()?;",
|
||||
f"/// let two_d_array = one_d_array.chunks({dim_group}_{dim_element}).collect();"
|
||||
]
|
||||
except:
|
||||
t += [ f"/// let two_d_array = one_d_array.chunks({data[group][element][1][0]}).collect();" ]
|
||||
t += [ """
|
||||
/// ```
|
||||
///
|
||||
/// [`chunks`]: slice::chunks"""
|
||||
]
|
||||
t += [ """
|
||||
pub fn read_{group_l}_{element_l}(&self) -> Result<Vec<{type_r}>, ExitCode> {
|
||||
let size = 1;""" ]
|
||||
t_prime = []
|
||||
for dim in data[group][element][1]:
|
||||
|
@ -1,11 +1,16 @@
|
||||
use crate::c;
|
||||
|
||||
/// Possible back ends
|
||||
#[derive(Debug)]
|
||||
#[derive(PartialEq)]
|
||||
pub enum BackEnd {
|
||||
/// The TREXIO "file" is a directory with text files for each group.
|
||||
/// A fallback when HDF5 is not available.
|
||||
Text,
|
||||
|
||||
/// Should be used for production. The TREXIO file is a single HDF5 file.
|
||||
Hdf5,
|
||||
|
||||
/// Automatic discovery of the appropriate backend
|
||||
Auto,
|
||||
}
|
||||
|
||||
|
@ -1,48 +1,104 @@
|
||||
use crate::c;
|
||||
|
||||
/// Exit codes
|
||||
#[derive(Debug)]
|
||||
#[derive(PartialEq)]
|
||||
pub enum ExitCode {
|
||||
/// Unknown failure
|
||||
Failure,
|
||||
|
||||
/// Everything went fine
|
||||
Success,
|
||||
InvalidArg1,
|
||||
InvalidArg2,
|
||||
InvalidArg3,
|
||||
InvalidArg4,
|
||||
InvalidArg5,
|
||||
|
||||
/// Invalid argument
|
||||
InvalidArg(usize),
|
||||
|
||||
/// End of file
|
||||
End,
|
||||
|
||||
/// Read-only file
|
||||
ReadOnly,
|
||||
|
||||
/// Error returned by Errno
|
||||
Errno,
|
||||
|
||||
/// Invalid ID
|
||||
InvalidId,
|
||||
|
||||
/// Allocation failed
|
||||
AllocationFailed,
|
||||
|
||||
/// Element absent
|
||||
HasNot,
|
||||
|
||||
/// Invalid (negative or 0) dimension
|
||||
InvalidNum,
|
||||
|
||||
/// Attribute already exists
|
||||
AttrAlreadyExists,
|
||||
|
||||
/// Dataset already exists
|
||||
DsetAlreadyExists,
|
||||
|
||||
/// Error opening file
|
||||
OpenError,
|
||||
|
||||
/// Error locking file
|
||||
LockError,
|
||||
|
||||
/// Error unlocking file
|
||||
UnlockError,
|
||||
|
||||
/// Invalid file
|
||||
FileError,
|
||||
|
||||
/// Error reading group
|
||||
GroupReadError,
|
||||
|
||||
/// Error writing group
|
||||
GroupWriteError,
|
||||
|
||||
/// Error reading element
|
||||
ElemReadError,
|
||||
|
||||
/// Error writing element
|
||||
ElemWriteError,
|
||||
|
||||
/// Access to memory beyond allocated
|
||||
UnsafeArrayDim,
|
||||
|
||||
/// Attribute does not exist in the file
|
||||
AttrMissing,
|
||||
|
||||
/// Dataset does not exist in the file
|
||||
DsetMissing,
|
||||
|
||||
/// Requested back end is disabled
|
||||
BackEndMissing,
|
||||
InvalidArg6,
|
||||
InvalidArg7,
|
||||
InvalidArg8,
|
||||
|
||||
/// Invalid max_str_len
|
||||
InvalidStrLen,
|
||||
|
||||
/// Possible integer overflow
|
||||
IntSizeOverflow,
|
||||
|
||||
/// Unsafe operation in safe mode
|
||||
SafeMode,
|
||||
|
||||
/// Inconsistent number of electrons
|
||||
InvalidElectronNum,
|
||||
|
||||
/// Inconsistent number of determinants
|
||||
InvalidDeterminantNum,
|
||||
|
||||
/// Inconsistent state of the file
|
||||
InvalidState,
|
||||
|
||||
/// Failed to parse package_version
|
||||
VersionParsingIssue,
|
||||
|
||||
/// The function succeeded with a change of sign
|
||||
PhaseChange,
|
||||
|
||||
}
|
||||
|
||||
impl ExitCode {
|
||||
@ -52,11 +108,11 @@ impl ExitCode {
|
||||
match rc {
|
||||
c::TREXIO_FAILURE => Self::Failure,
|
||||
c::TREXIO_SUCCESS => Self::Success,
|
||||
c::TREXIO_INVALID_ARG_1 => Self::InvalidArg1,
|
||||
c::TREXIO_INVALID_ARG_2 => Self::InvalidArg2,
|
||||
c::TREXIO_INVALID_ARG_3 => Self::InvalidArg3,
|
||||
c::TREXIO_INVALID_ARG_4 => Self::InvalidArg4,
|
||||
c::TREXIO_INVALID_ARG_5 => Self::InvalidArg5,
|
||||
c::TREXIO_INVALID_ARG_1 => Self::InvalidArg(1),
|
||||
c::TREXIO_INVALID_ARG_2 => Self::InvalidArg(2),
|
||||
c::TREXIO_INVALID_ARG_3 => Self::InvalidArg(3),
|
||||
c::TREXIO_INVALID_ARG_4 => Self::InvalidArg(4),
|
||||
c::TREXIO_INVALID_ARG_5 => Self::InvalidArg(5),
|
||||
c::TREXIO_END => Self::End,
|
||||
c::TREXIO_READONLY => Self::ReadOnly,
|
||||
c::TREXIO_ERRNO => Self::Errno,
|
||||
@ -78,9 +134,9 @@ impl ExitCode {
|
||||
c::TREXIO_ATTR_MISSING => Self::AttrMissing,
|
||||
c::TREXIO_DSET_MISSING => Self::DsetMissing,
|
||||
c::TREXIO_BACK_END_MISSING => Self::BackEndMissing,
|
||||
c::TREXIO_INVALID_ARG_6 => Self::InvalidArg6,
|
||||
c::TREXIO_INVALID_ARG_7 => Self::InvalidArg7,
|
||||
c::TREXIO_INVALID_ARG_8 => Self::InvalidArg8,
|
||||
c::TREXIO_INVALID_ARG_6 => Self::InvalidArg(6),
|
||||
c::TREXIO_INVALID_ARG_7 => Self::InvalidArg(7),
|
||||
c::TREXIO_INVALID_ARG_8 => Self::InvalidArg(8),
|
||||
c::TREXIO_INVALID_STR_LEN => Self::InvalidStrLen,
|
||||
c::TREXIO_INT_SIZE_OVERFLOW => Self::IntSizeOverflow,
|
||||
c::TREXIO_SAFE_MODE => Self::SafeMode,
|
||||
@ -98,11 +154,11 @@ impl ExitCode {
|
||||
match self {
|
||||
Self::Failure => c::TREXIO_FAILURE,
|
||||
Self::Success => c::TREXIO_SUCCESS,
|
||||
Self::InvalidArg1 => c::TREXIO_INVALID_ARG_1,
|
||||
Self::InvalidArg2 => c::TREXIO_INVALID_ARG_2,
|
||||
Self::InvalidArg3 => c::TREXIO_INVALID_ARG_3,
|
||||
Self::InvalidArg4 => c::TREXIO_INVALID_ARG_4,
|
||||
Self::InvalidArg5 => c::TREXIO_INVALID_ARG_5,
|
||||
Self::InvalidArg(1) => c::TREXIO_INVALID_ARG_1,
|
||||
Self::InvalidArg(2) => c::TREXIO_INVALID_ARG_2,
|
||||
Self::InvalidArg(3) => c::TREXIO_INVALID_ARG_3,
|
||||
Self::InvalidArg(4) => c::TREXIO_INVALID_ARG_4,
|
||||
Self::InvalidArg(5) => c::TREXIO_INVALID_ARG_5,
|
||||
Self::End => c::TREXIO_END,
|
||||
Self::ReadOnly => c::TREXIO_READONLY,
|
||||
Self::Errno => c::TREXIO_ERRNO,
|
||||
@ -124,9 +180,9 @@ impl ExitCode {
|
||||
Self::AttrMissing => c::TREXIO_ATTR_MISSING,
|
||||
Self::DsetMissing => c::TREXIO_DSET_MISSING,
|
||||
Self::BackEndMissing => c::TREXIO_BACK_END_MISSING,
|
||||
Self::InvalidArg6 => c::TREXIO_INVALID_ARG_6,
|
||||
Self::InvalidArg7 => c::TREXIO_INVALID_ARG_7,
|
||||
Self::InvalidArg8 => c::TREXIO_INVALID_ARG_8,
|
||||
Self::InvalidArg(6) => c::TREXIO_INVALID_ARG_6,
|
||||
Self::InvalidArg(7) => c::TREXIO_INVALID_ARG_7,
|
||||
Self::InvalidArg(8) => c::TREXIO_INVALID_ARG_8,
|
||||
Self::InvalidStrLen => c::TREXIO_INVALID_STR_LEN,
|
||||
Self::IntSizeOverflow => c::TREXIO_INT_SIZE_OVERFLOW,
|
||||
Self::SafeMode => c::TREXIO_SAFE_MODE,
|
||||
@ -135,6 +191,7 @@ impl ExitCode {
|
||||
Self::InvalidState => c::TREXIO_INVALID_STATE,
|
||||
Self::VersionParsingIssue => c::TREXIO_VERSION_PARSING_ISSUE,
|
||||
Self::PhaseChange => c::TREXIO_PHASE_CHANGE,
|
||||
_ => panic!("Unknown exit code"),
|
||||
}
|
||||
}
|
||||
|
||||
|
@ -1,20 +1,21 @@
|
||||
use ::std::os::raw::c_char;
|
||||
|
||||
/// C module generated by bindgen
|
||||
pub mod c;
|
||||
mod c;
|
||||
|
||||
/// Exit codes
|
||||
pub mod exit_code;
|
||||
/// Errors returned by function calls. These are related to the exit codes defined in the C TREXIO library.
|
||||
mod exit_code;
|
||||
pub use exit_code::ExitCode;
|
||||
|
||||
/// Possible backends
|
||||
/// Backends handled by TREXIO
|
||||
pub mod back_end;
|
||||
pub use back_end::BackEnd;
|
||||
|
||||
/// Bit fields
|
||||
/// Bit fields, used for the description of determinants
|
||||
pub mod bitfield;
|
||||
pub use bitfield::Bitfield;
|
||||
|
||||
/// Version of the C TREXIO library
|
||||
pub const PACKAGE_VERSION : &str = unsafe { std::str::from_utf8_unchecked(c::TREXIO_PACKAGE_VERSION) };
|
||||
|
||||
fn rc_return<T>(result: T, rc : c::trexio_exit_code) -> Result<T,ExitCode> {
|
||||
@ -30,6 +31,7 @@ fn string_to_c(s: &str) -> std::ffi::CString {
|
||||
}
|
||||
|
||||
|
||||
/// Prints to standard output information about the C TREXIO library
|
||||
pub fn info() -> Result<(),ExitCode> {
|
||||
let rc = unsafe { c::trexio_info() };
|
||||
rc_return((), rc)
|
||||
|
Loading…
Reference in New Issue
Block a user