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Clarified error message when read_num_atoms() fails during read()

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Josh Mitchell
2020-11-10 19:49:58 +11:00
parent 85b106f5d8
commit 323ba0b88c
2 changed files with 27 additions and 5 deletions
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8
src/lib.rs
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@@ -202,7 +202,9 @@ impl Trajectory for XTCTrajectory {
fn read(&mut self, frame: &mut Frame) -> Result<()> {
let mut step: i32 = 0;
let num_atoms = self.get_num_atoms()? as usize;
let num_atoms = self
.get_num_atoms()
.map_err(|e| Error::CouldNotCheckNAtoms(Box::new(e)))? as usize;
if num_atoms != frame.coords.len() {
return Err(Error::from((&*frame, num_atoms)));
}
@@ -303,7 +305,9 @@ impl Trajectory for TRRTrajectory {
let mut step: i32 = 0;
let mut lambda: f32 = 0.0;
let num_atoms = self.get_num_atoms()? as usize;
let num_atoms = self
.get_num_atoms()
.map_err(|e| Error::CouldNotCheckNAtoms(Box::new(e)))? as usize;
if num_atoms != frame.coords.len() {
return Err(Error::from((&*frame, num_atoms)));
}