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Fix for issue #44 - update to extxyz_jll v0.1.3 #45

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merged 1 commit into from
Sep 21, 2023
Merged

Fix for issue #44 - update to extxyz_jll v0.1.3 #45

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1 change: 1 addition & 0 deletions Project.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -18,6 +18,7 @@ StaticArrays = "1.5"
Unitful = "1"
UnitfulAtomic = "1"
julia = "1"
extxyz_jll = "0.1.3"

[extras]
Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
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7 changes: 4 additions & 3 deletions src/fileio.jl
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Expand Up @@ -199,15 +199,16 @@ function convert(::Type{Ptr{DictEntry}}, dict::Dict{String}{Any}; ordered_keys=n
return c_dict_ptr
end

function read_frame_dicts(fp::Ptr{Cvoid}; verbose=false)
function read_frame_dicts(fp::Ptr{Cvoid}; verbose=false, comment=nothing)
nat = Ref{Cint}(0)
info = Ref{Ptr{DictEntry}}()
arrays = Ref{Ptr{DictEntry}}()
failed = false
(comment === nothing) && (comment = C_NULL)
try
res = ccall((:extxyz_read_ll, libextxyz),
Cint, (Ptr{Cvoid}, Ptr{Cvoid}, Ref{Cint}, Ptr{Ptr{DictEntry}}, Ptr{Ptr{DictEntry}}),
_kv_grammar[], fp, nat, info, arrays)
Cint, (Ptr{Cvoid}, Ptr{Cvoid}, Ref{Cint}, Ptr{Ptr{DictEntry}}, Ptr{Ptr{DictEntry}}, Cstring),
_kv_grammar[], fp, nat, info, arrays, comment)
if res != 1
failed = true
throw(EOFError())
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