ST-analyzer | Simulation Trajectory Analysis for Molecular Dynamics
kandi X-RAY | ST-analyzer Summary
kandi X-RAY | ST-analyzer Summary
ST-analyzer is a standalone GUI toolset to perform various analyses of molecular dynamics simulation trajectories and provides a variety of analysis routines especially focused on membrane systems (e.g., lipid chain order parameter, lipid area, etc). Since trajectory files are generally too large to upload to a remote server, ST-analyzer has been developed in cross-platform by installing it into a server where trajectories are located. Once ST-analyzer is installed, user’s local machines governed by any types of existing OS can access the ST-analyzer through HTTP. ST-analyzer is also hosted at
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Trending Discussions on ST-analyzer
QUESTION
I am trying to reduce a reference of a Vec to its sum so I can calculate its mean. I am running into complier issues though and I am not following how things are not being borrowed/referenced correctly.
...ANSWER
Answered 2021-Jun-07 at 05:53Your issue here is that function passed to reduce must return a value of the same type as original iterator's item, which for iterators created through Iter
trait is always &T
. However, you can't return a reference from a function, because it would point to a freed stack frame.
Your options are:
- to use
into_iter()
instead, which consumes the collection it's called on and yields owned values, - to use
iter().cloned()
which will clone the values, again yielding an iterator over owned values, although it might be costly for non-primitive types.
But in this specific case of summing up an iterator, you should just use iter().sum()
.
QUESTION
I am using the Rust extension on vscode and NOT rust-analyzer. However, when I am saving a file, vscode is using rustfmt to format my file but it doesn't automatically insert semicolons. I have a trivial function like this
...ANSWER
Answered 2021-May-02 at 02:46Unlike JavaScript, semicolons are not syntactically optional in Rust. Thus, leaving them out is a syntax error, not just a matter of style, and rustfmt
(the standard Rust code formatting tool) doesn't ever attempt to fix any syntax errors, no matter how “obvious” they might be — if it reads a file with errors it will not make any formatting changes.
(I don't know if there's a way to get rust-analyzer, vim, or VS Code to auto-insert semicolons as a matter of editing rather than formatting.)
QUESTION
I have followed the Rust Book Chapter 2 to write the following program.
Here, I really liked the match
keyword
#1
ANSWER
Answered 2021-Mar-12 at 19:23The mismatched type error is because the type of term
is explicitly specified as u32, and the first match arm is implicitly returning u32, but the second match arm is returning the unit value ()
. There are only a few ways to exit a match expression, and here you will either need to return a u32 (which you probably don't want to do), or you can call return to exit from the function, or call panic!() to terminate the program. The continue keyword can only be used inside of a loop, but not matches. There is no equivalent to break
from C switch statements unfortunately.
If you didn't want to return from the function right away, you could rewrite this to store the Result returned by parse(), and then use an if let statement to check for an error, but it would likely be better to make a function that can be returned from, which has the match statement in it, and then calling that function from main(). Since the Rust compiler uses aggressive optimizations (at least when compiled with --release), it might actually eliminate the function entirely, so using lots of functions doesn't have the same penalty as it would in C
QUESTION
I have seen youtubers and such working on Rust in VSC with rust-analyzer plug-in where they get the optional type annotations displayed, even if it isn't necessarily written in the code. It's like I type foo(a,b)
in the editor and it automagically displays foo(a: A, b :B)
where the :A
and :B
are in faint grey possibly not even written in the file, just visual hint? It's nice and I can't figure out whether this is a feature of VSC or rust-analyzer? My rust-analyzer has the two settings Parameter Hints and TypeHints both set to enabled.
ANSWER
Answered 2021-Feb-14 at 00:30You're looking for parameter hints
in this case. The function for which you want to display hints also needs to have more than one parameter.
Make sure that the setting is enabled:
Settings (UI)
QUESTION
Consider the struct as below:
...ANSWER
Answered 2021-Feb-09 at 14:25This feature does exist in rust-analyzer, but it needs to be enabled explicitly. To enable it, you need to add the following to your keybindings.json
:
QUESTION
ANSWER
Answered 2021-Jan-19 at 22:53Problem is I don't see errors when I type, only after I save.
Rust-analyzer does not support real-time linting (yet?).
In short, rust-analyzer essentially runs cargo check
. For small projects this can be quite fast. However, as project sizes increase, this can take significantly more time, which makes it unfeasible to check in real-time.
See also issue #4185 and "Drawbacks" on the "First Release" post.
The next best thing you can do (as you already know), is to use "check on save":
QUESTION
I'm using rust-analyzer version 0.2.408 on Visual Studio Code.
I'm writing a command line application that involves centering text in the terminal. This is the function I wrote to do this:
...ANSWER
Answered 2020-Dec-09 at 20:44This is a bug in rust-analyzer. For now, you can disable the warning in your settings.json
:
QUESTION
I learned from this answer that I can generate docs from macros:
...ANSWER
Answered 2020-Dec-02 at 18:16QUESTION
I want to use two external libraries (geo-types-0.6.0 and geo-offset-0.1.0) to perform geometric algorithms.
The example below seems fine:
The Line
type is defined in the library geo_types
.
The Offset
trait moreover is written in geo_offset
. Including this trait should lead to the Line
type implementing method offset
.
However I get the following error:
no method named `offset` found for struct `geo_types::line::Line` in the current scope
In addition to that, the rust-analyzer
in VS Code tells me, that the included trait Offset
is not used. Why is that?
ANSWER
Answered 2020-Sep-11 at 08:21The geo-offset
crate implements the Offset
trait for geo::Line
, not geo_types::Line
(src - search for geo::Line
). So even so geo::Line
is just a re-export of geo_types::Line
, the rust compiler doesn't see this deep and only knows about the Offset
implementation for geo::Line
.
QUESTION
The issue is when I type code like this.
...ANSWER
Answered 2020-Jul-25 at 08:18Browsing docs.rs a bit, I found that type sqlx::Query
does not even have finalizers other than fetch
. As for sqlx::query_as
, the trait I was looking for was called PgQueryAs
, which actually contains fetch_all
, fetch_optional
, fetch_one
, etc. And adding use sqlx::postgress::PgQueryAs
fixed the problem for me.
Despite that, I still don't know a solution for evaluating macros to get decent types in my IDE.
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